Many-query computations, in which a computational model for an engineering system must be evaluated many times, are crucial in design and control. For systems governed by partial differential equations (PDEs), typical high-fidelity numerical models are high-dimensional and too computationally expensive for the many-query setting. Thus, efficient surrogate models are required to enable low-cost computations in design and control. This work presents a physics-preserving reduced model learning approach that targets PDEs whose quadratic operators preserve energy, such as those arising in governing equations in many fluids problems. The approach is based on the Operator Inference method, which fits reduced model operators to state snapshot and time derivative data in a least-squares sense. However, Operator Inference does not generally learn a reduced quadratic operator with the energy-preserving property of the original PDE. Thus, we propose a new energy-preserving Operator Inference (EP-OpInf) approach, which imposes this structure on the learned reduced model via constrained optimization. Numerical results using the viscous Burgers' and Kuramoto-Sivashinksy equation (KSE) demonstrate that EP-OpInf learns efficient and accurate reduced models that retain this energy-preserving structure.  ( 2 min )

In the realm of causal inference, Potential Outcomes (PO) and Structural Causal Models (SCM) are recognized as the principal frameworks.However, when it comes to Layer 3 valuations -- counterfactual queries deeply entwined with individual-level semantics -- both frameworks encounter limitations due to the degenerative issues brought forth by the consistency rule. This paper advocates for the Distribution-consistency Structural Causal Models (DiscoSCM) framework as a pioneering approach to counterfactual inference, skillfully integrating the strengths of both PO and SCM. The DiscoSCM framework distinctively incorporates a unit selection variable $U$ and embraces the concept of uncontrollable exogenous noise realization. Through personalized incentive scenarios, we demonstrate the inadequacies of PO and SCM frameworks in representing the probability of a user being a complier (a Layer 3 event) without degeneration, an issue adeptly resolved by adopting the assumption of independent counterfactual noises within DiscoSCM. This innovative assumption broadens the foundational counterfactual theory, facilitating the extension of numerous theoretical results regarding the probability of causation to an individual granularity level and leading to a comprehensive set of theories on heterogeneous counterfactual bounds. Ultimately, our paper posits that if one acknowledges and wishes to leverage the ubiquitous heterogeneity, understanding causality as invariance across heterogeneous units, then DiscoSCM stands as a significant advancement in the methodology of counterfactual inference.  ( 2 min )

Recently, it has been shown that transformers pre-trained on diverse datasets with multi-episode contexts can generalize to new reinforcement learning tasks in-context. A key limitation of previously proposed models is their reliance on a predefined action space size and structure. The introduction of a new action space often requires data re-collection and model re-training, which can be costly for some applications. In our work, we show that it is possible to mitigate this issue by proposing the Headless-AD model that, despite being trained only once, is capable of generalizing to discrete action spaces of variable size, semantic content and order. By experimenting with Bernoulli and contextual bandits, as well as a gridworld environment, we show that Headless-AD exhibits significant capability to generalize to action spaces it has never encountered, even outperforming specialized models trained for a specific set of actions on several environment configurations.  ( 2 min )

LiDAR (Light Detection And Ranging) is an indispensable sensor for precise long- and wide-range 3D sensing, which directly benefited the recent rapid deployment of autonomous driving (AD). Meanwhile, such a safety-critical application strongly motivates its security research. A recent line of research finds that one can manipulate the LiDAR point cloud and fool object detectors by firing malicious lasers against LiDAR. However, these efforts face 3 critical research gaps: (1) considering only one specific LiDAR (VLP-16); (2) assuming unvalidated attack capabilities; and (3) evaluating object detectors with limited spoofing capability modeling and setup diversity. To fill these critical research gaps, we conduct the first large-scale measurement study on LiDAR spoofing attack capabilities on object detectors with 9 popular LiDARs, covering both first- and new-generation LiDARs, and 3 major types of object detectors trained on 5 different datasets. To facilitate the measurements, we (1) identify spoofer improvements that significantly improve the latest spoofing capability, (2) identify a new object removal attack that overcomes the applicability limitation of the latest method to new-generation LiDARs, and (3) perform novel mathematical modeling for both object injection and removal attacks based on our measurement results. Through this study, we are able to uncover a total of 15 novel findings, including not only completely new ones due to the measurement angle novelty, but also many that can directly challenge the latest understandings in this problem space. We also discuss defenses.  ( 3 min )

Machine Learning (ML) in low-data settings remains an underappreciated yet crucial problem. Hence, data augmentation methods to increase the sample size of datasets needed for ML are key to unlocking the transformative potential of ML in data-deprived regions and domains. Unfortunately, the limited training set constrains traditional tabular synthetic data generators in their ability to generate a large and diverse augmented dataset needed for ML tasks. To address this challenge, we introduce CLLM, which leverages the prior knowledge of Large Language Models (LLMs) for data augmentation in the low-data regime. However, not all the data generated by LLMs will improve downstream utility, as for any generative model. Consequently, we introduce a principled curation mechanism, leveraging learning dynamics, coupled with confidence and uncertainty metrics, to obtain a high-quality dataset. Empirically, on multiple real-world datasets, we demonstrate the superior performance of CLLM in the low-data regime compared to conventional generators. Additionally, we provide insights into the LLM generation and curation mechanism, shedding light on the features that enable them to output high-quality augmented datasets.  ( 2 min )

Machine unlearning has raised significant interest with the adoption of laws ensuring the ``right to be forgotten''. Researchers have provided a probabilistic notion of approximate unlearning under a similar definition of Differential Privacy (DP), where privacy is defined as statistical indistinguishability to retraining from scratch. We propose Langevin unlearning, an unlearning framework based on noisy gradient descent with privacy guarantees for approximate unlearning problems. Langevin unlearning unifies the DP learning process and the privacy-certified unlearning process with many algorithmic benefits. These include approximate certified unlearning for non-convex problems, complexity saving compared to retraining, sequential and batch unlearning for multiple unlearning requests. We verify the practicality of Langevin unlearning by studying its privacy-utility-complexity trade-off via experiments on benchmark datasets, and also demonstrate its superiority against gradient-decent-plus-output-perturbation based approximate unlearning.  ( 2 min )

A knowledge gap persists between machine learning (ML) developers (e.g., data scientists) and practitioners (e.g., clinicians), hampering the full utilization of ML for clinical data analysis. We investigated the potential of the ChatGPT Advanced Data Analysis (ADA), an extension of GPT-4, to bridge this gap and perform ML analyses efficiently. Real-world clinical datasets and study details from large trials across various medical specialties were presented to ChatGPT ADA without specific guidance. ChatGPT ADA autonomously developed state-of-the-art ML models based on the original study's training data to predict clinical outcomes such as cancer development, cancer progression, disease complications, or biomarkers such as pathogenic gene sequences. Following the re-implementation and optimization of the published models, the head-to-head comparison of the ChatGPT ADA-crafted ML models and their respective manually crafted counterparts revealed no significant differences in traditional performance metrics (P>0.071). Strikingly, the ChatGPT ADA-crafted ML models often outperformed their counterparts. In conclusion, ChatGPT ADA offers a promising avenue to democratize ML in medicine by simplifying complex data analyses, yet should enhance, not replace, specialized training and resources, to promote broader applications in medical research and practice.  ( 3 min )

Variational Autoencoders (VAEs) have become a cornerstone in generative modeling and representation learning within machine learning. This paper explores a nuanced aspect of VAEs, focusing on interpreting the Kullback Leibler (KL) Divergence, a critical component within the Evidence Lower Bound (ELBO) that governs the trade off between reconstruction accuracy and regularization. Meanwhile, the KL Divergence enforces alignment between latent variable distributions and a prior imposing a structure on the overall latent space but leaves individual variable distributions unconstrained. The proposed method redefines the ELBO with a mixture of Gaussians for the posterior probability, introduces a regularization term to prevent variance collapse, and employs a PatchGAN discriminator to enhance texture realism. Implementation details involve ResNetV2 architectures for both the Encoder and Decoder. The experiments demonstrate the ability to generate realistic faces, offering a promising solution for enhancing VAE based generative models.  ( 2 min )

Models of many real-life applications, such as queuing models of communication networks or computing systems, have a countably infinite state-space. Algorithmic and learning procedures that have been developed to produce optimal policies mainly focus on finite state settings, and do not directly apply to these models. To overcome this lacuna, in this work we study the problem of optimal control of a family of discrete-time countable state-space Markov Decision Processes (MDPs) governed by an unknown parameter $\theta\in\Theta$, and defined on a countably-infinite state space $\mathcal X=\mathbb{Z}_+^d$, with finite action space $\mathcal A$, and an unbounded cost function. We take a Bayesian perspective with the random unknown parameter $\boldsymbol{\theta}^*$ generated via a given fixed prior distribution on $\Theta$. To optimally control the unknown MDP, we propose an algorithm based on Thompson sampling with dynamically-sized episodes: at the beginning of each episode, the posterior distribution formed via Bayes' rule is used to produce a parameter estimate, which then decides the policy applied during the episode. To ensure the stability of the Markov chain obtained by following the policy chosen for each parameter, we impose ergodicity assumptions. From this condition and using the solution of the average cost Bellman equation, we establish an $\tilde O(dh^d\sqrt{|\mathcal A|T})$ upper bound on the Bayesian regret of our algorithm, where $T$ is the time-horizon. Finally, to elucidate the applicability of our algorithm, we consider two different queuing models with unknown dynamics, and show that our algorithm can be applied to develop approximately optimal control algorithms.  ( 3 min )

Feature attribution methods (FAs), such as gradients and attention, are widely employed approaches to derive the importance of all input features to the model predictions. Existing work in natural language processing has mostly focused on developing and testing FAs for encoder-only language models (LMs) in classification tasks. However, it is unknown if it is faithful to use these FAs for decoder-only models on text generation, due to the inherent differences between model architectures and task settings respectively. Moreover, previous work has demonstrated that there is no `one-wins-all' FA across models and tasks. This makes the selection of a FA computationally expensive for large LMs since input importance derivation often requires multiple forward and backward passes including gradient computations that might be prohibitive even with access to large compute. To address these issues, we present a model-agnostic FA for generative LMs called Recursive Attribution Generator (ReAGent). Our method updates the token importance distribution in a recursive manner. For each update, we compute the difference in the probability distribution over the vocabulary for predicting the next token between using the original input and using a modified version where a part of the input is replaced with RoBERTa predictions. Our intuition is that replacing an important token in the context should have resulted in a larger change in the model's confidence in predicting the token than replacing an unimportant token. Our method can be universally applied to any generative LM without accessing internal model weights or additional training and fine-tuning, as most other FAs require. We extensively compare the faithfulness of ReAGent with seven popular FAs across six decoder-only LMs of various sizes. The results show that our method consistently provides more faithful token importance distributions.  ( 3 min )

The power requirements posed by the fifth-generation and beyond cellular networks are an important constraint in network deployment and require energy-efficient solutions. In this work, we propose a novel user load transfer approach using airborne base stations (BS) mounted on drones for reliable and secure power redistribution across the micro-grid network comprising green small cell BSs. Depending on the user density and the availability of an aerial BS, the energy requirement of a cell with an energy deficit is accommodated by migrating the aerial BS from a high-energy to a low-energy cell. The proposed hybrid drone-based framework integrates long short-term memory with unique cost functions using an evolutionary neural network for drones and BSs and efficiently manages energy and load redistribution. The proposed algorithm reduces power outages at BSs and maintains consistent throughput stability, thereby demonstrating its capability to boost the reliability and robustness of wireless communication systems.  ( 2 min )

The robustness of deep learning models against adversarial attacks remains a pivotal concern. This study presents, for the first time, an exhaustive review of the transferability aspect of adversarial attacks. It systematically categorizes and critically evaluates various methodologies developed to augment the transferability of adversarial attacks. This study encompasses a spectrum of techniques, including Generative Structure, Semantic Similarity, Gradient Editing, Target Modification, and Ensemble Approach. Concurrently, this paper introduces a benchmark framework \textit{TAA-Bench}, integrating ten leading methodologies for adversarial attack transferability, thereby providing a standardized and systematic platform for comparative analysis across diverse model architectures. Through comprehensive scrutiny, we delineate the efficacy and constraints of each method, shedding light on their underlying operational principles and practical utility. This review endeavors to be a quintessential resource for both scholars and practitioners in the field, charting the complex terrain of adversarial transferability and setting a foundation for future explorations in this vital sector. The associated codebase is accessible at: https://github.com/KxPlaug/TAA-Bench  ( 2 min )

We investigate parameter-efficient fine-tuning (PEFT) methods that can provide good accuracy under limited computational and memory budgets in the context of large language models (LLMs). We present a new PEFT method called Robust Adaptation (RoSA) inspired by robust principal component analysis that jointly trains $\textit{low-rank}$ and $\textit{highly-sparse}$ components on top of a set of fixed pretrained weights to efficiently approximate the performance of a full-fine-tuning (FFT) solution. Across a series of challenging generative tasks such as grade-school math and SQL query generation, which require fine-tuning for good performance, we show that RoSA outperforms LoRA, pure sparse fine-tuning, and alternative hybrid methods at the same parameter budget, and can even recover the performance of FFT on some tasks. We provide system support for RoSA to complement the training algorithm, specifically in the form of sparse GPU kernels which enable memory- and computationally-efficient training, and show that it is also compatible with low-precision base weights, resulting in the first joint representation combining quantization, low-rank and sparse approximations. Our code is accessible at https://github.com/IST-DASLab/RoSA.  ( 2 min )

Bilevel optimization reveals the inner structure of otherwise oblique optimization problems, such as hyperparameter tuning, neural architecture search, and meta-learning. A common goal in bilevel optimization is to minimize a hyper-objective that implicitly depends on the solution set of the lower-level function. Although this hyper-objective approach is widely used, its theoretical properties have not been thoroughly investigated in cases where \textit{the lower-level functions lack strong convexity}. In this work, we first provide hardness results to show that the goal of finding stationary points of the hyper-objective for nonconvex-convex bilevel optimization can be intractable for zero-respecting algorithms. Then we study a class of tractable nonconvex-nonconvex bilevel problems when the lower-level function satisfies the Polyak-{\L}ojasiewicz (PL) condition. We show a simple first-order algorithm can achieve better complexity bounds of $\tilde{\mathcal{O}}(\epsilon^{-2})$, $\tilde{\mathcal{O}}(\epsilon^{-4})$ and $\tilde{\mathcal{O}}(\epsilon^{-6})$ in the deterministic, partially stochastic, and fully stochastic setting respectively. The complexities in the first two cases are optimal up to logarithmic factors.  ( 2 min )

In recent years, there has been an intense debate about how learning in biological neural networks (BNNs) differs from learning in artificial neural networks. It is often argued that the updating of connections in the brain relies only on local information, and therefore a stochastic gradient-descent type optimization method cannot be used. In this paper, we study a stochastic model for supervised learning in BNNs. We show that a (continuous) gradient step occurs approximately when each learning opportunity is processed by many local updates. This result suggests that stochastic gradient descent may indeed play a role in optimizing BNNs.  ( 2 min )

Vertical federated learning has garnered significant attention as it allows clients to train machine learning models collaboratively without sharing local data, which protects the client's local private data. However, existing VFL methods face challenges when dealing with heterogeneous local models among participants, which affects optimization convergence and generalization. To address this challenge, this paper proposes a novel approach called Vertical federated learning for training multiple Heterogeneous models (VFedMH). VFedMH focuses on aggregating the local embeddings of each participant's knowledge during forward propagation. To protect the participants' local embedding values, we propose an embedding protection method based on lightweight blinding factors. In particular, participants obtain local embedding using local heterogeneous models. Then the passive party, who owns only features of the sample, injects the blinding factor into the local embedding and sends it to the active party. The active party aggregates local embeddings to obtain global knowledge embeddings and sends them to passive parties. The passive parties then utilize the global embeddings to propagate forward on their local heterogeneous networks. However, the passive party does not own the sample labels, so the local model gradient cannot be calculated locally. To overcome this limitation, the active party assists the passive party in computing its local heterogeneous model gradients. Then, each participant trains their local model using the heterogeneous model gradients. The objective is to minimize the loss value of their respective local heterogeneous models. Extensive experiments are conducted to demonstrate that VFedMH can simultaneously train multiple heterogeneous models with heterogeneous optimization and outperform some recent methods in model performance.  ( 3 min )

Multi-agent pathfinding (MAPF) is a critical field in many large-scale robotic applications, often being the fundamental step in multi-agent systems. The increasing complexity of MAPF in complex and crowded environments, however, critically diminishes the effectiveness of existing solutions. In contrast to other studies that have either presented a general overview of the recent advancements in MAPF or extensively reviewed Deep Reinforcement Learning (DRL) within multi-agent system settings independently, our work presented in this review paper focuses on highlighting the integration of DRL-based approaches in MAPF. Moreover, we aim to bridge the current gap in evaluating MAPF solutions by addressing the lack of unified evaluation metrics and providing comprehensive clarification on these metrics. Finally, our paper discusses the potential of model-based DRL as a promising future direction and provides its required foundational understanding to address current challenges in MAPF. Our objective is to assist readers in gaining insight into the current research direction, providing unified metrics for comparing different MAPF algorithms and expanding their knowledge of model-based DRL to address the existing challenges in MAPF.  ( 3 min )

Spatio-temporal forecasting, pivotal in numerous fields, hinges on the delicate equilibrium between isolating nuanced patterns and sifting out noise. To tackle this, we introduce Sparse Regression-based Vector Quantization (SVQ), a novel technique that leverages sparse regression for succinct representation, an approach theoretically and practically favored over classical clustering-based vector quantization methods. This approach preserves critical details from the original vectors using a regression model while filtering out noise via sparse design. Moreover, we approximate the sparse regression process using a blend of a two-layer MLP and an extensive codebook. This approach not only substantially cuts down on computational costs but also grants SVQ differentiability and training simplicity, resulting in a notable enhancement of performance. Our empirical studies on five spatial-temporal benchmark datasets demonstrate that SVQ achieves state-of-the-art results. Specifically, on the WeatherBench-S temperature dataset, SVQ improves the top baseline by 7.9%. In video prediction benchmarks-Human, KTH, and KittiCaltech-it reduces MAE by an average of 9.4% and improves image quality by 17.3% (LPIPS).  ( 2 min )

Stance detection is important for understanding different attitudes and beliefs on the Internet. However, given that a passage's stance toward a given topic is often highly dependent on that topic, building a stance detection model that generalizes to unseen topics is difficult. In this work, we propose using contrastive learning as well as an unlabeled dataset of news articles that cover a variety of different topics to train topic-agnostic/TAG and topic-aware/TAW embeddings for use in downstream stance detection. Combining these embeddings in our full TATA model, we achieve state-of-the-art performance across several public stance detection datasets (0.771 $F_1$-score on the Zero-shot VAST dataset). We release our code and data at https://github.com/hanshanley/tata.  ( 2 min )

This work proposes $\mu$GUIDE: a general Bayesian framework to estimate posterior distributions of tissue microstructure parameters from any given biophysical model or MRI signal representation, with exemplar demonstration in diffusion-weighted MRI. Harnessing a new deep learning architecture for automatic signal feature selection combined with simulation-based inference and efficient sampling of the posterior distributions, $\mu$GUIDE bypasses the high computational and time cost of conventional Bayesian approaches and does not rely on acquisition constraints to define model-specific summary statistics. The obtained posterior distributions allow to highlight degeneracies present in the model definition and quantify the uncertainty and ambiguity of the estimated parameters.  ( 2 min )

Analyzing and training 3D body posture models depend heavily on the availability of joint labels that are commonly acquired through laborious manual annotation of body joints or via marker-based joint localization using carefully curated markers and capturing systems. However, such annotations are not always available, especially for people performing unusual activities. In this paper, we propose an algorithm that learns to discover 3D keypoints on human bodies from multiple-view images without any supervision or labels other than the constraints multiple-view geometry provides. To ensure that the discovered 3D keypoints are meaningful, they are re-projected to each view to estimate the person's mask that the model itself has initially estimated without supervision. Our approach discovers more interpretable and accurate 3D keypoints compared to other state-of-the-art unsupervised approaches on Human3.6M and MPI-INF-3DHP benchmark datasets.  ( 2 min )

Industrial SAT formula generation is a critical yet challenging task. Existing SAT generation approaches can hardly simultaneously capture the global structural properties and maintain plausible computational hardness. We first present an in-depth analysis for the limitation of previous learning methods in reproducing the computational hardness of original instances, which may stem from the inherent homogeneity in their adopted split-merge procedure. On top of the observations that industrial formulae exhibit clear community structure and oversplit substructures lead to the difficulty in semantic formation of logical structures, we propose HardSATGEN, which introduces a fine-grained control mechanism to the neural split-merge paradigm for SAT formula generation to better recover the structural and computational properties of the industrial benchmarks. Experiments including evaluations on private and practical corporate testbed show the superiority of HardSATGEN being the only method to successfully augment formulae maintaining similar computational hardness and capturing the global structural properties simultaneously. Compared to the best previous methods, the average performance gains achieve 38.5% in structural statistics, 88.4% in computational metrics, and over 140.7% in the effectiveness of guiding solver tuning by our generated instances. Source code is available at http://github.com/Thinklab-SJTU/HardSATGEN  ( 3 min )

We propose a new object-centric video prediction algorithm based on the deep latent particle (DLP) representation. In comparison to existing slot- or patch-based representations, DLPs model the scene using a set of keypoints with learned parameters for properties such as position and size, and are both efficient and interpretable. Our method, deep dynamic latent particles (DDLP), yields state-of-the-art object-centric video prediction results on several challenging datasets. The interpretable nature of DDLP allows us to perform ``what-if'' generation -- predict the consequence of changing properties of objects in the initial frames, and DLP's compact structure enables efficient diffusion-based unconditional video generation. Videos, code and pre-trained models are available: https://taldatech.github.io/ddlp-web  ( 2 min )

Models of choice are a fundamental input to many now-canonical optimization problems in the field of Operations Management, including assortment, inventory, and price optimization. Naturally, accurate estimation of these models from data is a critical step in the application of these optimization problems in practice. Concurrently, recent advancements in deep learning have sparked interest in integrating these techniques into choice modeling. However, there is a noticeable research gap at the intersection of deep learning and choice modeling, particularly with both theoretical and empirical foundations. Thus motivated, we first propose a choice model that is the first to successfully (both theoretically and practically) leverage a modern neural network architectural concept (self-attention). Theoretically, we show that our attention-based choice model is a low-rank generalization of the Halo Multinomial Logit (Halo-MNL) model. We prove that whereas the Halo-MNL requires $\Omega(m^2)$ data samples to estimate, where $m$ is the number of products, our model supports a natural nonconvex estimator (in particular, that which a standard neural network implementation would apply) which admits a near-optimal stationary point with $O(m)$ samples. Additionally, we establish the first realistic-scale benchmark for choice model estimation on real data, conducting the most extensive evaluation of existing models to date, thereby highlighting our model's superior performance.  ( 2 min )

Diagnosis of bearing faults is paramount to reducing maintenance costs and operational breakdowns. Bearing faults are primary contributors to machine vibrations, and analyzing their signal morphology offers insights into their health status. Unfortunately, existing approaches are optimized for controlled environments, neglecting realistic conditions such as time-varying rotational speeds and the vibration's non-stationary nature. This paper presents a fusion of time-frequency analysis and deep learning techniques to diagnose bearing faults under time-varying speeds and varying noise levels. First, we formulate the bearing fault-induced vibrations and discuss the link between their non-stationarity and the bearing's inherent and operational parameters. We also elucidate quadratic time-frequency distributions and validate their effectiveness in resolving distinctive dynamic patterns associated with different bearing faults. Based on this, we design a time-frequency convolutional neural network (TF-CNN) to diagnose various faults in rolling-element bearings. Our experimental findings undeniably demonstrate the superior performance of TF-CNN in comparison to recently developed techniques. They also assert its versatility in capturing fault-relevant non-stationary features that couple with speed changes and show its exceptional resilience to noise, consistently surpassing competing methods across various signal-to-noise ratios and performance metrics. Altogether, the TF-CNN achieves substantial accuracy improvements up to 15%, in severe noise conditions.  ( 2 min )

Approximation rates are analyzed for deep surrogates of maps between infinite-dimensional function spaces, arising e.g. as data-to-solution maps of linear and nonlinear partial differential equations. Specifically, we study approximation rates for Deep Neural Operator and Generalized Polynomial Chaos (gpc) Operator surrogates for nonlinear, holomorphic maps between infinite-dimensional, separable Hilbert spaces. Operator in- and outputs from function spaces are assumed to be parametrized by stable, affine representation systems. Admissible representation systems comprise orthonormal bases, Riesz bases or suitable tight frames of the spaces under consideration. Algebraic expression rate bounds are established for both, deep neural and spectral operator surrogates acting in scales of separable Hilbert spaces containing domain and range of the map to be expressed, with finite Sobolev or Besov regularity. We illustrate the abstract concepts by expression rate bounds for the coefficient-to-solution map for a linear elliptic PDE on the torus.  ( 2 min )

With the advance of text-to-image (T2I) diffusion models (e.g., Stable Diffusion) and corresponding personalization techniques such as DreamBooth and LoRA, everyone can manifest their imagination into high-quality images at an affordable cost. However, adding motion dynamics to existing high-quality personalized T2Is and enabling them to generate animations remains an open challenge. In this paper, we present AnimateDiff, a practical framework for animating personalized T2I models without requiring model-specific tuning. At the core of our framework is a plug-and-play motion module that can be trained once and seamlessly integrated into any personalized T2Is originating from the same base T2I. Through our proposed training strategy, the motion module effectively learns transferable motion priors from real-world videos. Once trained, the motion module can be inserted into a personalized T2I model to form a personalized animation generator. We further propose MotionLoRA, a lightweight fine-tuning technique for AnimateDiff that enables a pre-trained motion module to adapt to new motion patterns, such as different shot types, at a low training and data collection cost. We evaluate AnimateDiff and MotionLoRA on several public representative personalized T2I models collected from the community. The results demonstrate that our approaches help these models generate temporally smooth animation clips while preserving the visual quality and motion diversity. Codes and pre-trained weights are available at https://github.com/guoyww/AnimateDiff.  ( 3 min )

Coverage control is the problem of navigating a robot swarm to collaboratively monitor features or a phenomenon of interest not known a priori. The problem is challenging in decentralized settings with robots that have limited communication and sensing capabilities. We propose a learnable Perception-Action-Communication (LPAC) architecture for the problem, wherein a convolution neural network (CNN) processes localized perception; a graph neural network (GNN) facilitates robot communications; finally, a shallow multi-layer perceptron (MLP) computes robot actions. The GNN enables collaboration in the robot swarm by computing what information to communicate with nearby robots and how to incorporate received information. Evaluations show that the LPAC models -- trained using imitation learning -- outperform standard decentralized and centralized coverage control algorithms. The learned policy generalizes to environments different from the training dataset, transfers to larger environments with more robots, and is robust to noisy position estimates. The results indicate the suitability of LPAC architectures for decentralized navigation in robot swarms to achieve collaborative behavior.  ( 2 min )

Spatiotemporal urban data (STUD) displays complex correlational patterns. Extensive advanced techniques have been designed to capture these patterns for effective forecasting. However, because STUD is often massive in scale, practitioners need to strike a balance between effectiveness and efficiency by choosing computationally efficient models. An alternative paradigm called MLP-Mixer has the potential for both simplicity and effectiveness. Taking inspiration from its success in other domains, we propose an adapted version, named NexuSQN, for STUD forecast at scale. We identify the challenges faced when directly applying MLP-Mixers as series- and window-wise multivaluedness and propose the ST-contextualization to distinguish between spatial and temporal patterns. Experimental results surprisingly demonstrate that MLP-Mixers with ST-contextualization can rival SOTA performance when tested on several urban benchmarks. Furthermore, it was deployed in a collaborative urban congestion project with Baidu, specifically evaluating its ability to forecast traffic states in megacities like Beijing and Shanghai. Our findings contribute to the exploration of simple yet effective models for real-world STUD forecasting.  ( 2 min )

Pre-training datasets, like ImageNet, have become the gold standard in medical image analysis. However, the emergence of self-supervised learning (SSL), which leverages unlabeled data to learn robust features, presents an opportunity to bypass the intensive labeling process. In this study, we explored if SSL for pre-training on non-medical images can be applied to chest radiographs and how it compares to supervised pre-training on non-medical images and on medical images. We utilized a vision transformer and initialized its weights based on (i) SSL pre-training on natural images (DINOv2), (ii) SL pre-training on natural images (ImageNet dataset), and (iii) SL pre-training on chest radiographs from the MIMIC-CXR database. We tested our approach on over 800,000 chest radiographs from six large global datasets, diagnosing more than 20 different imaging findings. Our SSL pre-training on curated images not only outperformed ImageNet-based pre-training (P<0.001 for all datasets) but, in certain cases, also exceeded SL on the MIMIC-CXR dataset. Our findings suggest that selecting the right pre-training strategy, especially with SSL, can be pivotal for improving artificial intelligence (AI)'s diagnostic accuracy in medical imaging. By demonstrating the promise of SSL in chest radiograph analysis, we underline a transformative shift towards more efficient and accurate AI models in medical imaging.  ( 3 min )

Over the past years, foundation models have caused a paradigm shift in machine learning due to their unprecedented capabilities for zero-shot and few-shot generalization. However, despite the success of foundation models in modalities such as natural language processing and computer vision, the development of foundation models for time series forecasting has lagged behind. We present Lag-Llama, a general-purpose foundation model for univariate probabilistic time series forecasting based on a decoder-only transformer architecture that uses lags as covariates. Lag-Llama is pretrained on a large corpus of diverse time series data from several domains, and demonstrates strong zero-shot generalization capabilities compared to a wide range of forecasting models on downstream datasets across domains. Moreover, when fine-tuned on relatively small fractions of such previously unseen datasets, Lag-Llama achieves state-of-the-art performance, outperforming prior deep learning approaches, emerging as the best general-purpose model on average. Lag-Llama serves as a strong contender to the current state-of-art in time series forecasting and paves the way for future advancements in foundation models tailored to time series data.  ( 3 min )

Complex activities of daily living (ADLs) often consist of multiple micro-activities. When performed sequentially, these micro-activities help the user accomplish the broad macro-activity. Naturally, a deeper understanding of these micro-activities can help develop more sophisticated human activity recognition (HAR) models and add explainability to their inferred conclusions. Previous research has attempted to achieve this by utilizing fine-grained annotated data that provided the required supervision and rules for associating the micro-activities to identify the macro-activity. However, this ``bottom-up'' approach is unrealistic as getting such high-quality, fine-grained annotated sensor datasets is challenging, costly, and time-consuming. Understanding this, in this paper, we develop AmicroN, which adapts a ``top-down'' approach by exploiting coarse-grained annotated data to expand the macro-activities into their constituent micro-activities without any external supervision. In the backend, AmicroN uses \textit{unsupervised} change-point detection to search for the micro-activity boundaries across a complex ADL. Then, it applies a \textit{generalized zero-shot} approach to characterize it. We evaluate AmicroN on two real-life publicly available datasets and observe that AmicroN can identify the micro-activities with micro F\textsubscript{1}-score $>0.75$ for both datasets. Additionally, we also perform an initial proof-of-concept on leveraging the state-of-the-art (SOTA) large language models (LLMs) with attribute embeddings predicted by AmicroN to enhance further the explainability surrounding the detection of micro-activities.  ( 3 min )

Approximate nearest-neighbor search (ANNS) algorithms are a key part of the modern deep learning stack due to enabling efficient similarity search over high-dimensional vector space representations (i.e., embeddings) of data. Among various ANNS algorithms, graph-based algorithms are known to achieve the best throughput-recall tradeoffs. Despite the large scale of modern ANNS datasets, existing parallel graph based implementations suffer from significant challenges to scale to large datasets due to heavy use of locks and other sequential bottlenecks, which 1) prevents them from efficiently scaling to a large number of processors, and 2) results in nondeterminism that is undesirable in certain applications. In this paper, we introduce ParlayANN, a library of deterministic and parallel graph-based approximate nearest neighbor search algorithms, along with a set of useful tools for developing such algorithms. In this library, we develop novel parallel implementations for four state-of-the-art graph-based ANNS algorithms that scale to billion-scale datasets. Our algorithms are deterministic and achieve high scalability across a diverse set of challenging datasets. In addition to the new algorithmic ideas, we also conduct a detailed experimental study of our new algorithms as well as two existing non-graph approaches. Our experimental results both validate the effectiveness of our new techniques, and lead to a comprehensive comparison among ANNS algorithms on large scale datasets with a list of interesting findings.  ( 3 min )

In clinical practice, one often needs to identify whether a patient is at high risk of adverse outcomes after some key medical event; for example, the short-term risk of death after an admission for heart failure. This task is challenging due to the complexity, variability, and heterogeneity of longitudinal medical data, especially for individuals suffering from chronic diseases like heart failure. In this paper, we introduce Event-Based Contrastive Learning (EBCL), a method for learning embeddings of heterogeneous patient data that preserves temporal information before and after key index events. We demonstrate that EBCL produces models that yield better fine-tuning performance on critical downstream tasks for a heart failure cohort, including 30-day readmission, 1-year mortality, and 1-week length of stay, relative to other pretraining methods. Our findings also reveal that EBCL pretraining alone can effectively cluster patients with similar mortality and readmission risks, offering valuable insights for clinical decision-making and personalized patient care.  ( 2 min )

We introduce the framework of "social learning" in the context of large language models (LLMs), whereby models share knowledge with each other in a privacy-aware manner using natural language. We present and evaluate two approaches for knowledge transfer between LLMs. In the first scenario, we allow the model to generate abstract prompts aiming to teach the task. In our second approach, models transfer knowledge by generating synthetic examples. We evaluate these methods across diverse datasets and quantify memorization as a proxy for privacy loss. These techniques inspired by social learning yield promising results with low memorization of the original data. In particular, we show that performance using these methods is comparable to results with the use of original labels and prompts. Our work demonstrates the viability of social learning for LLMs, establishes baseline approaches and highlights several unexplored areas for future work.  ( 2 min )

Recent works attribute the capability of in-context learning (ICL) in large pre-trained language models to implicitly simulating and fine-tuning an internal model (e.g., linear or 2-layer MLP) during inference. However, such constructions require large memory overhead, which makes simulation of more sophisticated internal models intractable. In this work, we propose an efficient construction, Transformer in Transformer (in short, TinT), that allows a transformer to simulate and fine-tune complex models internally during inference (e.g., pre-trained language models). In particular, we introduce innovative approximation techniques that allow a TinT model with less than 2 billion parameters to simulate and fine-tune a 125 million parameter transformer model within a single forward pass. TinT accommodates many common transformer variants and its design ideas also improve the efficiency of past instantiations of simple models inside transformers. We conduct end-to-end experiments to validate the internal fine-tuning procedure of TinT on various language modeling and downstream tasks. For example, even with a limited one-step budget, we observe TinT for a OPT-125M model improves performance by 4-16% absolute on average compared to OPT-125M. These findings suggest that large pre-trained language models are capable of performing intricate subroutines. To facilitate further work, a modular and extensible codebase for TinT is included.  ( 2 min )

Federated learning (FL) enables multiple data owners (a.k.a. FL clients) to collaboratively train machine learning models without disclosing sensitive private data. Existing FL research mostly focuses on the monopoly scenario in which a single FL server selects a subset of FL clients to update their local models in each round of training. In practice, there can be multiple FL servers simultaneously trying to select clients from the same pool. In this paper, we propose a first-of-its-kind Fairness-aware Federated Job Scheduling (FairFedJS) approach to bridge this gap. Based on Lyapunov optimization, it ensures fair allocation of high-demand FL client datasets to FL jobs in need of them, by jointly considering the current demand and the job payment bids, in order to prevent prolonged waiting. Extensive experiments comparing FairFedJS against four state-of-the-art approaches on two datasets demonstrate its significant advantages. It outperforms the best baseline by 31.9% and 1.0% on average in terms of scheduling fairness and convergence time, respectively, while achieving comparable test accuracy.  ( 2 min )

We present an end-to-end binaural audio rendering approach (Listen2Scene) for virtual reality (VR) and augmented reality (AR) applications. We propose a novel neural-network-based binaural sound propagation method to generate acoustic effects for indoor 3D models of real environments. Any clean audio or dry audio can be convolved with the generated acoustic effects to render audio corresponding to the real environment. We propose a graph neural network that uses both the material and the topology information of the 3D scenes and generates a scene latent vector. Moreover, we use a conditional generative adversarial network (CGAN) to generate acoustic effects from the scene latent vector. Our network can handle holes or other artifacts in the reconstructed 3D mesh model. We present an efficient cost function for the generator network to incorporate spatial audio effects. Given the source and the listener position, our learning-based binaural sound propagation approach can generate an acoustic effect in 0.1 milliseconds on an NVIDIA GeForce RTX 2080 Ti GPU. We have evaluated the accuracy of our approach with binaural acoustic effects generated using an interactive geometric sound propagation algorithm and captured real acoustic effects / real-world recordings. We also performed a perceptual evaluation and observed that the audio rendered by our approach is more plausible than audio rendered using prior learning-based and geometric-based sound propagation algorithms. We quantitatively evaluated the accuracy of our approach using statistical acoustic parameters, and energy decay curves. The demo videos, code and dataset are available online (https://anton-jeran.github.io/Listen2Scene/).  ( 3 min )

Generative adversarial networks (GANs) usually struggle in learning from highly diverse data, whose underlying manifold is complex. In this work, we revisit the mathematical foundations of GANs, and theoretically reveal that the native adversarial loss for GAN training is insufficient to fix the problem of subsets with positive Lebesgue measure of the generated data manifold lying out of the real data manifold. Instead, we find that score matching serves as a promising solution to this issue thanks to its capability of persistently pushing the generated data points towards the real data manifold. We thereby propose to improve the optimization of GANs with score matching regularity (SMaRt). Regarding the empirical evidences, we first design a toy example to show that training GANs by the aid of a ground-truth score function can help reproduce the real data distribution more accurately, and then confirm that our approach can consistently boost the synthesis performance of various state-of-the-art GANs on real-world datasets with pre-trained diffusion models acting as the approximate score function. For instance, when training Aurora on the ImageNet 64x64 dataset, we manage to improve FID from 8.87 to 7.11, on par with the performance of one-step consistency model. The source code will be made public.  ( 2 min )

This paper explores Physical-Layer Security (PLS) in Flexible Duplex (FlexD) networks, considering scenarios involving eavesdroppers. Our investigation revolves around the intricacies of the sum secrecy rate maximization problem, particularly when faced with coordinated and distributed eavesdroppers employing a Minimum Mean Square Error (MMSE) receiver. Our contributions include an iterative classical optimization solution and an unsupervised learning strategy based on Graph Neural Networks (GNNs). To the best of our knowledge, this work marks the initial exploration of GNNs for PLS applications. Additionally, we extend the GNN approach to address the absence of eavesdroppers' channel knowledge. Extensive numerical simulations highlight FlexD's superiority over Half-Duplex (HD) communications and the GNN approach's superiority over the classical method in both performance and time complexity.  ( 2 min )

Objective: Prediction models are popular in medical research and practice. By predicting an outcome of interest for specific patients, these models may help inform difficult treatment decisions, and are often hailed as the poster children for personalized, data-driven healthcare. Many prediction models are deployed for decision support based on their prediction accuracy in validation studies. We investigate whether this is a safe and valid approach. Materials and Methods: We show that using prediction models for decision making can lead to harmful decisions, even when the predictions exhibit good discrimination after deployment. These models are harmful self-fulfilling prophecies: their deployment harms a group of patients but the worse outcome of these patients does not invalidate the predictive power of the model. Results: Our main result is a formal characterization of a set of such prediction models. Next we show that models that are well calibrated before and after deployment are useless for decision making as they made no change in the data distribution. Discussion: Our results point to the need to revise standard practices for validation, deployment and evaluation of prediction models that are used in medical decisions. Conclusion: Outcome prediction models can yield harmful self-fulfilling prophecies when used for decision making, a new perspective on prediction model development, deployment and monitoring is needed.  ( 3 min )

In credit markets, screening algorithms aim to discriminate between good-type and bad-type borrowers. However, when doing so, they can also discriminate between individuals sharing a protected attribute (e.g. gender, age, racial origin) and the rest of the population. This can be unintentional and originate from the training dataset or from the model itself. We show how to formally test the algorithmic fairness of scoring models and how to identify the variables responsible for any lack of fairness. We then use these variables to optimize the fairness-performance trade-off. Our framework provides guidance on how algorithmic fairness can be monitored by lenders, controlled by their regulators, improved for the benefit of protected groups, while still maintaining a high level of forecasting accuracy.  ( 2 min )

Discovering causal relationships from time series data is significant in fields such as finance, climate science, and neuroscience. However, contemporary techniques rely on the simplifying assumption that data originates from the same causal model, while in practice, data is heterogeneous and can stem from different causal models. In this work, we relax this assumption and perform causal discovery from time series data originating from a mixture of causal models. We propose a general variational inference-based framework called MCD to infer the underlying causal models as well as the mixing probability of each sample. Our approach employs an end-to-end training process that maximizes an evidence-lower bound for the data likelihood. We present two variants: MCD-Linear for linear relationships and independent noise, and MCD-Nonlinear for nonlinear causal relationships and history-dependent noise. We demonstrate that our method surpasses state-of-the-art benchmarks in causal discovery tasks through extensive experimentation on synthetic and real-world datasets, particularly when the data emanates from diverse underlying causal graphs. Theoretically, we prove the identifiability of such a model under some mild assumptions.  ( 2 min )

The logistic regression model is one of the most popular data generation model in noisy binary classification problems. In this work, we study the sample complexity of estimating the parameters of the logistic regression model up to a given $\ell_2$ error, in terms of the dimension and the inverse temperature, with standard normal covariates. The inverse temperature controls the signal-to-noise ratio of the data generation process. While both generalization bounds and asymptotic performance of the maximum-likelihood estimator for logistic regression are well-studied, the non-asymptotic sample complexity that shows the dependence on error and the inverse temperature for parameter estimation is absent from previous analyses. We show that the sample complexity curve has two change-points in terms of the inverse temperature, clearly separating the low, moderate, and high temperature regimes.  ( 2 min )

Diffusion models may be viewed as hierarchical variational autoencoders (VAEs) with two improvements: parameter sharing for the conditional distributions in the generative process and efficient computation of the loss as independent terms over the hierarchy. We consider two changes to the diffusion model that retain these advantages while adding flexibility to the model. Firstly, we introduce a data- and depth-dependent mean function in the diffusion process, which leads to a modified diffusion loss. Our proposed framework, DiffEnc, achieves a statistically significant improvement in likelihood on CIFAR-10. Secondly, we let the ratio of the noise variance of the reverse encoder process and the generative process be a free weight parameter rather than being fixed to 1. This leads to theoretical insights: For a finite depth hierarchy, the evidence lower bound (ELBO) can be used as an objective for a weighted diffusion loss approach and for optimizing the noise schedule specifically for inference. For the infinite-depth hierarchy, on the other hand, the weight parameter has to be 1 to have a well-defined ELBO.  ( 2 min )

We expound on some known lower bounds of the quadratic Wasserstein distance between random vectors in $\mathbb{R}^n$ with an emphasis on affine transformations that have been used in manifold learning of data in Wasserstein space. In particular, we give concrete lower bounds for rotated copies of random vectors in $\mathbb{R}^2$ by computing the Bures metric between the covariance matrices. We also derive upper bounds for compositions of affine maps which yield a fruitful variety of diffeomorphisms applied to an initial data measure. We apply these bounds to various distributions including those lying on a 1-dimensional manifold in $\mathbb{R}^2$ and illustrate the quality of the bounds. Finally, we give a framework for mimicking handwritten digit or alphabet datasets that can be applied in a manifold learning framework.  ( 2 min )

Contemporary scientific research is a distributed, collaborative endeavor, carried out by teams of researchers, regulatory institutions, funding agencies, commercial partners, and scientific bodies, all interacting with each other and facing different incentives. To maintain scientific rigor, statistical methods should acknowledge this state of affairs. To this end, we study hypothesis testing when there is an agent (e.g., a researcher or a pharmaceutical company) with a private prior about an unknown parameter and a principal (e.g., a policymaker or regulator) who wishes to make decisions based on the parameter value. The agent chooses whether to run a statistical trial based on their private prior and then the result of the trial is used by the principal to reach a decision. We show how the principal can conduct statistical inference that leverages the information that is revealed by an agent's strategic behavior -- their choice to run a trial or not. In particular, we show how the principal can design a policy to elucidate partial information about the agent's private prior beliefs and use this to control the posterior probability of the null. One implication is a simple guideline for the choice of significance threshold in clinical trials: the type-I error level should be set to be strictly less than the cost of the trial divided by the firm's profit if the trial is successful.  ( 2 min )

Misclassification detection is an important problem in machine learning, as it allows for the identification of instances where the model's predictions are unreliable. However, conventional uncertainty measures such as Shannon entropy do not provide an effective way to infer the real uncertainty associated with the model's predictions. In this paper, we introduce a novel data-driven measure of uncertainty relative to an observer for misclassification detection. By learning patterns in the distribution of soft-predictions, our uncertainty measure can identify misclassified samples based on the predicted class probabilities. Interestingly, according to the proposed measure, soft-predictions corresponding to misclassified instances can carry a large amount of uncertainty, even though they may have low Shannon entropy. We demonstrate empirical improvements over multiple image classification tasks, outperforming state-of-the-art misclassification detection methods.  ( 2 min )

Evidence-based targeting has been a topic of growing interest among the practitioners of policy and business. Formulating decision-maker's policy learning as a fixed-budget best arm identification (BAI) problem with contextual information, we study an optimal adaptive experimental design for policy learning with multiple treatment arms. In the sampling stage, the planner assigns treatment arms adaptively over sequentially arriving experimental units upon observing their contextual information (covariates). After the experiment, the planner recommends an individualized assignment rule to the population. Setting the worst-case expected regret as the performance criterion of adaptive sampling and recommended policies, we derive its asymptotic lower bounds, and propose a strategy, Adaptive Sampling-Policy Learning strategy (PLAS), whose leading factor of the regret upper bound aligns with the lower bound as the size of experimental units increases.  ( 2 min )

The ability of an agent to do well in new environments is a critical aspect of intelligence. In machine learning, this ability is known as $\textit{strong}$ or $\textit{out-of-distribution}$ generalization. However, merely considering differences in data distributions is inadequate for fully capturing differences between learning environments. In the present paper, we investigate $\textit{out-of-variable}$ generalization, which pertains to an agent's generalization capabilities concerning environments with variables that were never jointly observed before. This skill closely reflects the process of animate learning: we, too, explore Nature by probing, observing, and measuring $\textit{subsets}$ of variables at any given time. Mathematically, $\textit{out-of-variable}$ generalization requires the efficient re-use of past marginal information, i.e., information over subsets of previously observed variables. We study this problem, focusing on prediction tasks across environments that contain overlapping, yet distinct, sets of causes. We show that after fitting a classifier, the residual distribution in one environment reveals the partial derivative of the true generating function with respect to the unobserved causal parent in that environment. We leverage this information and propose a method that exhibits non-trivial out-of-variable generalization performance when facing an overlapping, yet distinct, set of causal predictors.  ( 2 min )

Critical decisions like hiring, college admissions, and loan approvals are guided by predictions made in the presence of uncertainty. While uncertainty imparts errors across all demographic groups, this paper shows that the types of errors vary systematically: Groups with higher average outcomes are typically assigned higher false positive rates, while those with lower average outcomes are assigned higher false negative rates. We characterize the conditions that give rise to this disparate impact and explain why the intuitive remedy to omit demographic variables from datasets does not correct it. Instead of data omission, this paper examines how data enrichment can broaden access to opportunity. The strategy, which we call "Affirmative Information," could stand as an alternative to Affirmative Action.  ( 2 min )

We consider alternating gradient descent (AGD) with fixed step size applied to the asymmetric matrix factorization objective. We show that, for a rank-$r$ matrix $\mathbf{A} \in \mathbb{R}^{m \times n}$, $T = C (\frac{\sigma_1(\mathbf{A})}{\sigma_r(\mathbf{A})})^2 \log(1/\epsilon)$ iterations of alternating gradient descent suffice to reach an $\epsilon$-optimal factorization $\| \mathbf{A} - \mathbf{X} \mathbf{Y}^{T} \|^2 \leq \epsilon \| \mathbf{A}\|^2$ with high probability starting from an atypical random initialization. The factors have rank $d \geq r$ so that $\mathbf{X}_{T}\in\mathbb{R}^{m \times d}$ and $\mathbf{Y}_{T} \in\mathbb{R}^{n \times d}$, and mild overparameterization suffices for the constant $C$ in the iteration complexity $T$ to be an absolute constant. Experiments suggest that our proposed initialization is not merely of theoretical benefit, but rather significantly improves the convergence rate of gradient descent in practice. Our proof is conceptually simple: a uniform Polyak-\L{}ojasiewicz (PL) inequality and uniform Lipschitz smoothness constant are guaranteed for a sufficient number of iterations, starting from our random initialization. Our proof method should be useful for extending and simplifying convergence analyses for a broader class of nonconvex low-rank factorization problems.  ( 2 min )

We present a comprehensive examination of learning methodologies employed for the structural identification of dynamical systems. These techniques are designed to elucidate emergent phenomena within intricate systems of interacting agents. Our approach not only ensures theoretical convergence guarantees but also exhibits computational efficiency when handling high-dimensional observational data. The methods adeptly reconstruct both first- and second-order dynamical systems, accommodating observation and stochastic noise, intricate interaction rules, absent interaction features, and real-world observations in agent systems. The foundational aspect of our learning methodologies resides in the formulation of tailored loss functions using the variational inverse problem approach, inherently equipping our methods with dimension reduction capabilities.  ( 2 min )

We specialize techniques from topological data analysis to the problem of characterizing the topological complexity (as defined in the body of the paper) of a multi-class data set. As a by-product, a topological classifier is defined that uses an open sub-covering of the data set. This sub-covering can be used to construct a simplicial complex whose topological features (e.g., Betti numbers) provide information about the classification problem. We use these topological constructs to study the impact of topological complexity on learning in feedforward deep neural networks (DNNs). We hypothesize that topological complexity is negatively correlated with the ability of a fully connected feedforward deep neural network to learn to classify data correctly. We evaluate our topological classification algorithm on multiple constructed and open source data sets. We also validate our hypothesis regarding the relationship between topological complexity and learning in DNN's on multiple data sets.  ( 2 min )

The transformer is a neural network component that can be used to learn useful representations of sequences or sets of data-points. The transformer has driven recent advances in natural language processing, computer vision, and spatio-temporal modelling. There are many introductions to transformers, but most do not contain precise mathematical descriptions of the architecture and the intuitions behind the design choices are often also missing. Moreover, as research takes a winding path, the explanations for the components of the transformer can be idiosyncratic. In this note we aim for a mathematically precise, intuitive, and clean description of the transformer architecture. We will not discuss training as this is rather standard. We assume that the reader is familiar with fundamental topics in machine learning including multi-layer perceptrons, linear transformations, softmax functions and basic probability.  ( 2 min )

The success of deep learning comes at a tremendous computational and energy cost, and the scalability of training massively overparametrized neural networks is becoming a real barrier to the progress of artificial intelligence (AI). Despite the popularity and low cost-per-iteration of traditional backpropagation via gradient decent, stochastic gradient descent (SGD) has prohibitive convergence rate in non-convex settings, both in theory and practice. To mitigate this cost, recent works have proposed to employ alternative (Newton-type) training methods with much faster convergence rate, albeit with higher cost-per-iteration. For a typical neural network with $m=\mathrm{poly}(n)$ parameters and input batch of $n$ datapoints in $\mathbb{R}^d$, the previous work of [Brand, Peng, Song, and Weinstein, ITCS'2021] requires $\sim mnd + n^3$ time per iteration. In this paper, we present a novel training method that requires only $m^{1-\alpha} n d + n^3$ amortized time in the same overparametrized regime, where $\alpha \in (0.01,1)$ is some fixed constant. This method relies on a new and alternative view of neural networks, as a set of binary search trees, where each iteration corresponds to modifying a small subset of the nodes in the tree. We believe this view would have further applications in the design and analysis of deep neural networks (DNNs).  ( 2 min )

This paper proposes an equivariant neural network that takes data in any semi-simple Lie algebra as input. The corresponding group acts on the Lie algebra as adjoint operations, making our proposed network adjoint-equivariant. Our framework generalizes the Vector Neurons, a simple $\mathrm{SO}(3)$-equivariant network, from 3-D Euclidean space to Lie algebra spaces, building upon the invariance property of the Killing form. Furthermore, we propose novel Lie bracket layers and geometric channel mixing layers that extend the modeling capacity. Experiments are conducted for the $\mathfrak{so}(3)$ and $\mathfrak{sl}(3)$ Lie algebras on various tasks, including fitting equivariant and invariant functions, learning system dynamics, point cloud registration, and homography-based shape classification. Our proposed equivariant network shows wide applicability and competitive performance in various domains.  ( 2 min )

We consider applications of neural networks in nonlinear system identification and formulate a hypothesis that adjusting general network structure by incorporating frequency information or other known orthogonal transform, should result in an efficient neural network retaining its universal properties. We show that such a structure is a universal approximator and that using any orthogonal transform in a proposed way implies regularization during training by adjusting the learning rate of each parameter individually. We empirically show in particular, that such a structure, using the Fourier transform, outperforms equivalent models without orthogonality support.  ( 2 min )

We present a framework for learning Hamiltonian systems using data. This work is based on a lifting hypothesis, which posits that nonlinear Hamiltonian systems can be written as nonlinear systems with cubic Hamiltonians. By leveraging this, we obtain quadratic dynamics that are Hamiltonian in a transformed coordinate system. To that end, for given generalized position and momentum data, we propose a methodology to learn quadratic dynamical systems, enforcing the Hamiltonian structure in combination with a weakly-enforced symplectic auto-encoder. The obtained Hamiltonian structure exhibits long-term stability of the system, while the cubic Hamiltonian function provides relatively low model complexity. For low-dimensional data, we determine a higher-dimensional transformed coordinate system, whereas for high-dimensional data, we find a lower-dimensional coordinate system with the desired properties. We demonstrate the proposed methodology by means of both low-dimensional and high-dimensional nonlinear Hamiltonian systems.  ( 2 min )

Federated learning involves training statistical models over edge devices such as mobile phones such that the training data is kept local. Federated Learning (FL) can serve as an ideal candidate for training spatial temporal models that rely on heterogeneous and potentially massive numbers of participants while preserving the privacy of highly sensitive location data. However, there are unique challenges involved with transitioning existing spatial temporal models to decentralized learning. In this survey paper, we review the existing literature that has proposed FL-based models for predicting human mobility, traffic prediction, community detection, location-based recommendation systems, and other spatial-temporal tasks. We describe the metrics and datasets these works have been using and create a baseline of these approaches in comparison to the centralized settings. Finally, we discuss the challenges of applying spatial-temporal models in a decentralized setting and by highlighting the gaps in the literature we provide a road map and opportunities for the research community.  ( 2 min )

Bayesian Optimization (BO) is typically used to optimize an unknown function $f$ that is noisy and costly to evaluate, by exploiting an acquisition function that must be maximized at each optimization step. Even if provably asymptotically optimal BO algorithms are efficient at optimizing low-dimensional functions, scaling them to high-dimensional spaces remains an open problem, often tackled by assuming an additive structure for $f$. By doing so, BO algorithms typically introduce additional restrictive assumptions on the additive structure that reduce their applicability domain. This paper contains two main contributions: (i) we relax the restrictive assumptions on the additive structure of $f$ without weakening the maximization guarantees of the acquisition function, and (ii) we address the over-exploration problem for decentralized BO algorithms. To these ends, we propose DuMBO, an asymptotically optimal decentralized BO algorithm that achieves very competitive performance against state-of-the-art BO algorithms, especially when the additive structure of $f$ comprises high-dimensional factors.  ( 2 min )

Building recommendation systems via federated learning (FL) is a new emerging challenge for advancing next-generation Internet service and privacy protection. Existing approaches train shared item embedding by FL while keeping the user embedding private on client side. However, item embedding identical for all clients cannot capture users' individual differences on perceiving the same item and thus leads to poor personalization. Moreover, dense item embedding in FL results in expensive communication cost and latency. To address these challenges, we propose Federated Recommendation with Additive Personalization (FedRAP), which learns a global view of items via FL and a personalized view locally on each user. FedRAP enforces sparsity of the global view to save FL's communication cost and encourages difference between the two views through regularization. We propose an effective curriculum to learn the local and global views progressively with increasing regularization weights. To produce recommendations for an user, FedRAP adds the two views together to obtain a personalized item embedding. FedRAP achieves the best performance in FL setting on multiple benchmarks. It outperforms recent federated recommendation methods and several ablation study baselines.  ( 2 min )

Transformer-based models have greatly pushed the boundaries of time series forecasting recently. Existing methods typically encode time series data into $\textit{patches}$ using one or a fixed set of patch lengths. This, however, could result in a lack of ability to capture the variety of intricate temporal dependencies present in real-world multi-periodic time series. In this paper, we propose MultiResFormer, which dynamically models temporal variations by adaptively choosing optimal patch lengths. Concretely, at the beginning of each layer, time series data is encoded into several parallel branches, each using a detected periodicity, before going through the transformer encoder block. We conduct extensive evaluations on long- and short-term forecasting datasets comparing MultiResFormer with state-of-the-art baselines. MultiResFormer outperforms patch-based Transformer baselines on long-term forecasting tasks and also consistently outperforms CNN baselines by a large margin, while using much fewer parameters than these baselines.  ( 2 min )

We present an in-context learning agent for formal theorem-proving in environments like Lean and Coq. Current state-of-the-art models for the problem are finetuned on environment-specific proof data. By contrast, our approach, called COPRA, repeatedly asks a high-capacity, general-purpose large language model (GPT-4) to propose tactic applications from within a stateful backtracking search. Proposed tactics are executed in the underlying proof environment. Feedback from the execution is used to build the prompt for the next model query, along with selected information from the search history and lemmas retrieved from an external database. We evaluate our implementation of COPRA on the miniF2F benchmark for Lean and a set of Coq tasks from the CompCert project. On these benchmarks, COPRA significantly outperforms few-shot invocations of GPT-4. It also compares favorably against finetuning-based approaches, outperforming REPROVER, a state-of-the-art finetuned approach for Lean, in terms of the pass@1 metric. Our code and data are available at https://github.com/trishullab/copra.  ( 2 min )

We study the classical Network Revenue Management (NRM) problem with accept/reject decisions and $T$ IID arrivals. We consider a distributional form where each arrival must fall under a finite number of possible categories, each with a deterministic resource consumption vector, but a random value distributed continuously over an interval. We develop an online algorithm that achieves $O(\log^2 T)$ regret under this model, with the only (necessary) assumption being that the probability densities are bounded away from 0. We derive a second result that achieves $O(\log T)$ regret under an additional assumption of second-order growth. To our knowledge, these are the first results achieving logarithmic-level regret in an NRM model with continuous values that do not require any kind of ``non-degeneracy'' assumptions. Our results are achieved via new techniques including a new method of bounding myopic regret, a ``semi-fluid'' relaxation of the offline allocation, and an improved bound on the ``dual convergence''.  ( 2 min )

Accurate detection of human presence in indoor environments is important for various applications, such as energy management and security. In this paper, we propose a novel system for human presence detection using the channel state information (CSI) of WiFi signals. Our system named attention-enhanced deep learning for presence detection (ALPD) employs an attention mechanism to automatically select informative subcarriers from the CSI data and a bidirectional long short-term memory (LSTM) network to capture temporal dependencies in CSI. Additionally, we utilize a static feature to improve the accuracy of human presence detection in static states. We evaluate the proposed ALPD system by deploying a pair of WiFi access points (APs) for collecting CSI dataset, which is further compared with several benchmarks. The results demonstrate that our ALPD system outperforms the benchmarks in terms of accuracy, especially in the presence of interference. Moreover, bidirectional transmission data is beneficial to training improving stability and accuracy, as well as reducing the costs of data collection for training. To elaborate a little further, we have also evaluated the potential of ALPD for detecting more challenging human activities in multi-rooms. Overall, our proposed ALPD system shows promising results for human presence detection using WiFi CSI signals.  ( 3 min )

Reinforcement Learning or optimal control can provide effective reasoning for sequential decision-making problems with variable dynamics. Such reasoning in practical implementation, however, poses a persistent challenge in interpreting the reward function and corresponding optimal policy. Consequently, formalizing the sequential decision-making problems as inference has a considerable value, as probabilistic inference in principle offers diverse and powerful mathematical tools to infer the stochastic dynamics whilst suggesting a probabilistic interpretation of the reward design and policy convergence. In this study, we propose a novel Adaptive Wasserstein Variational Optimization (AWaVO) to tackle these challenges in sequential decision-making. Our approach utilizes formal methods to provide interpretations of reward design, transparency of training convergence, and probabilistic interpretation of sequential decisions. To demonstrate practicality, we show convergent training with guaranteed global convergence rates not only in simulation but also in real robot tasks, and empirically verify a reasonable tradeoff between high performance and conservative interpretability.  ( 2 min )

Sharpness-aware minimization (SAM) methods have gained increasing popularity by formulating the problem of minimizing both loss value and loss sharpness as a minimax objective. In this work, we increase the efficiency of the maximization and minimization parts of SAM's objective to achieve a better loss-sharpness trade-off. By taking inspiration from the Lookahead optimizer, which uses multiple descent steps ahead, we propose Lookbehind, which performs multiple ascent steps behind to enhance the maximization step of SAM and find a worst-case perturbation with higher loss. Then, to mitigate the variance in the descent step arising from the gathered gradients across the multiple ascent steps, we employ linear interpolation to refine the minimization step. Lookbehind leads to a myriad of benefits across a variety of tasks. Particularly, we show increased generalization performance, greater robustness against noisy weights, as well as improved learning and less catastrophic forgetting in lifelong learning settings.  ( 2 min )

Generative Artificial Intelligence (AI) is one of the most exciting developments in Computer Science of the last decade. At the same time, Reinforcement Learning (RL) has emerged as a very successful paradigm for a variety of machine learning tasks. In this survey, we discuss the state of the art, opportunities and open research questions in applying RL to generative AI. In particular, we will discuss three types of applications, namely, RL as an alternative way for generation without specified objectives; as a way for generating outputs while concurrently maximizing an objective function; and, finally, as a way of embedding desired characteristics, which cannot be easily captured by means of an objective function, into the generative process. We conclude the survey with an in-depth discussion of the opportunities and challenges in this fascinating emerging area.  ( 2 min )

Natural policy gradient (NPG) methods with entropy regularization achieve impressive empirical success in reinforcement learning problems with large state-action spaces. However, their convergence properties and the impact of entropy regularization remain elusive in the function approximation regime. In this paper, we establish finite-time convergence analyses of entropy-regularized NPG with linear function approximation under softmax parameterization. In particular, we prove that entropy-regularized NPG with averaging satisfies the \emph{persistence of excitation} condition, and achieves a fast convergence rate of $\tilde{O}(1/T)$ up to a function approximation error in regularized Markov decision processes. This convergence result does not require any a priori assumptions on the policies. Furthermore, under mild regularity conditions on the concentrability coefficient and basis vectors, we prove that entropy-regularized NPG exhibits \emph{linear convergence} up to a function approximation error.  ( 2 min )

Neoteric works have shown that modern deep learning models can exhibit a sparse double descent phenomenon. Indeed, as the sparsity of the model increases, the test performance first worsens since the model is overfitting the training data; then, the overfitting reduces, leading to an improvement in performance, and finally, the model begins to forget critical information, resulting in underfitting. Such a behavior prevents using traditional early stop criteria. In this work, we have three key contributions. First, we propose a learning framework that avoids such a phenomenon and improves generalization. Second, we introduce an entropy measure providing more insights into the insurgence of this phenomenon and enabling the use of traditional stop criteria. Third, we provide a comprehensive quantitative analysis of contingent factors such as re-initialization methods, model width and depth, and dataset noise. The contributions are supported by empirical evidence in typical setups. Our code is available at https://github.com/VGCQ/DSD2.  ( 2 min )

We provide a theoretical framework for Reinforcement Learning with Human Feedback (RLHF). Our analysis shows that when the true reward function is linear, the widely used maximum likelihood estimator (MLE) converges under both the Bradley-Terry-Luce (BTL) model and the Plackett-Luce (PL) model. However, we show that when training a policy based on the learned reward model, MLE fails while a pessimistic MLE provides policies with improved performance under certain coverage assumptions. Additionally, we demonstrate that under the PL model, the true MLE and an alternative MLE that splits the $K$-wise comparison into pairwise comparisons both converge. Moreover, the true MLE is asymptotically more efficient. Our results validate the empirical success of existing RLHF algorithms in InstructGPT and provide new insights for algorithm design. Furthermore, our results unify the problem of RLHF and max-entropy Inverse Reinforcement Learning (IRL), and provide the first sample complexity bound for max-entropy IRL.  ( 2 min )

In this paper, we tackle a significant challenge in PCA: heterogeneity. When data are collected from different sources with heterogeneous trends while still sharing some congruency, it is critical to extract shared knowledge while retaining the unique features of each source. To this end, we propose personalized PCA (PerPCA), which uses mutually orthogonal global and local principal components to encode both unique and shared features. We show that, under mild conditions, both unique and shared features can be identified and recovered by a constrained optimization problem, even if the covariance matrices are immensely different. Also, we design a fully federated algorithm inspired by distributed Stiefel gradient descent to solve the problem. The algorithm introduces a new group of operations called generalized retractions to handle orthogonality constraints, and only requires global PCs to be shared across sources. We prove the linear convergence of the algorithm under suitable assumptions. Comprehensive numerical experiments highlight PerPCA's superior performance in feature extraction and prediction from heterogeneous datasets. As a systematic approach to decouple shared and unique features from heterogeneous datasets, PerPCA finds applications in several tasks, including video segmentation, topic extraction, and feature clustering.  ( 2 min )

Our work aims at efficiently leveraging ambiguous demonstrations for the training of a reinforcement learning (RL) agent. An ambiguous demonstration can usually be interpreted in multiple ways, which severely hinders the RL-Agent from learning stably and efficiently. Since an optimal demonstration may also suffer from being ambiguous, previous works that combine RL and learning from demonstration (RLfD works) may not work well. Inspired by how humans handle such situations, we propose to use self-explanation (an agent generates explanations for itself) to recognize valuable high-level relational features as an interpretation of why a successful trajectory is successful. This way, the agent can provide some guidance for its RL learning. Our main contribution is to propose the Self-Explanation for RL from Demonstrations (SERLfD) framework, which can overcome the limitations of traditional RLfD works. Our experimental results show that an RLfD model can be improved by using our SERLfD framework in terms of training stability and performance.  ( 2 min )

The inherent diversity of computation types within individual Deep Neural Network (DNN) models imposes a corresponding need for a varied set of computation units within hardware processors. This diversity poses a significant constraint on computation efficiency during the execution of different neural networks. In this study, we present NeuralMatrix, a framework that transforms the computation of entire DNNs into linear matrix operations. This transformation seamlessly enables the execution of various DNN models using a single General-Purpose Matrix Multiplication (GEMM) accelerator. Extensive experimental results spanning different DNN models demonstrate that our approach preserves network accuracy while providing both generality and application-specific levels of computation efficiency. This allows a broad spectrum of DNN models to be executed using a single GEMM accelerator, eliminating the need for additional special function units.  ( 2 min )

Learned representations are a central component in modern ML systems, serving a multitude of downstream tasks. When training such representations, it is often the case that computational and statistical constraints for each downstream task are unknown. In this context rigid, fixed capacity representations can be either over or under-accommodating to the task at hand. This leads us to ask: can we design a flexible representation that can adapt to multiple downstream tasks with varying computational resources? Our main contribution is Matryoshka Representation Learning (MRL) which encodes information at different granularities and allows a single embedding to adapt to the computational constraints of downstream tasks. MRL minimally modifies existing representation learning pipelines and imposes no additional cost during inference and deployment. MRL learns coarse-to-fine representations that are at least as accurate and rich as independently trained low-dimensional representations. The flexibility within the learned Matryoshka Representations offer: (a) up to 14x smaller embedding size for ImageNet-1K classification at the same level of accuracy; (b) up to 14x real-world speed-ups for large-scale retrieval on ImageNet-1K and 4K; and (c) up to 2% accuracy improvements for long-tail few-shot classification, all while being as robust as the original representations. Finally, we show that MRL extends seamlessly to web-scale datasets (ImageNet, JFT) across various modalities -- vision (ViT, ResNet), vision + language (ALIGN) and language (BERT). MRL code and pretrained models are open-sourced at https://github.com/RAIVNLab/MRL.  ( 3 min )

We propose the problem of conversational web navigation, where a digital agent controls a web browser and follows user instructions to solve real-world tasks in a multi-turn dialogue fashion. To support this problem, we introduce WEBLINX - a large-scale benchmark of 100K interactions across 2300 expert demonstrations of conversational web navigation. Our benchmark covers a broad range of patterns on over 150 real-world websites and can be used to train and evaluate agents in diverse scenarios. Due to the magnitude of information present, Large Language Models (LLMs) cannot process entire web pages in real-time. To solve this bottleneck, we design a retrieval-inspired model that efficiently prunes HTML pages by ranking relevant elements. We use the selected elements, along with screenshots and action history, to assess a variety of models for their ability to replicate human behavior when navigating the web. Our experiments span from small text-only to proprietary multimodal LLMs. We find that smaller finetuned decoders surpass the best zero-shot LLMs (including GPT-4V), but also larger finetuned multimodal models which were explicitly pretrained on screenshots. However, all finetuned models struggle to generalize to unseen websites. Our findings highlight the need for large multimodal models that can generalize to novel settings. Our code, data and models are available for research: https://mcgill-nlp.github.io/weblinx  ( 2 min )

We propose SPHINX-X, an extensive Multimodality Large Language Model (MLLM) series developed upon SPHINX. To improve the architecture and training efficiency, we modify the SPHINX framework by removing redundant visual encoders, bypassing fully-padded sub-images with skip tokens, and simplifying multi-stage training into a one-stage all-in-one paradigm. To fully unleash the potential of MLLMs, we assemble a comprehensive multi-domain and multimodal dataset covering publicly available resources in language, vision, and vision-language tasks. We further enrich this collection with our curated OCR intensive and Set-of-Mark datasets, extending the diversity and generality. By training over different base LLMs including TinyLlama1.1B, InternLM2-7B, LLaMA2-13B, and Mixtral8x7B, we obtain a spectrum of MLLMs that vary in parameter size and multilingual capabilities. Comprehensive benchmarking reveals a strong correlation between the multi-modal performance with the data and parameter scales. Code and models are released at https://github.com/Alpha-VLLM/LLaMA2-Accessory  ( 2 min )

The development of artificial intelligence systems is transitioning from creating static, task-specific models to dynamic, agent-based systems capable of performing well in a wide range of applications. We propose an Interactive Agent Foundation Model that uses a novel multi-task agent training paradigm for training AI agents across a wide range of domains, datasets, and tasks. Our training paradigm unifies diverse pre-training strategies, including visual masked auto-encoders, language modeling, and next-action prediction, enabling a versatile and adaptable AI framework. We demonstrate the performance of our framework across three separate domains -- Robotics, Gaming AI, and Healthcare. Our model demonstrates its ability to generate meaningful and contextually relevant outputs in each area. The strength of our approach lies in its generality, leveraging a variety of data sources such as robotics sequences, gameplay data, large-scale video datasets, and textual information for effective multimodal and multi-task learning. Our approach provides a promising avenue for developing generalist, action-taking, multimodal systems.  ( 2 min )

Recent developments in large language models have sparked interest in efficient pretraining methods. A recent effective paradigm is to perform stage-wise training, where the size of the model is gradually increased over the course of training (e.g. gradual stacking (Reddi et al., 2023)). While the resource and wall-time savings are appealing, it has limitations, particularly the inability to evaluate the full model during earlier stages, and degradation in model quality due to smaller model capacity in the initial stages. In this work, we propose an alternative framework, progressive subnetwork training, that maintains the full model throughout training, but only trains subnetworks within the model in each step. We focus on a simple instantiation of this framework, Random Path Training (RaPTr) that only trains a sub-path of layers in each step, progressively increasing the path lengths in stages. RaPTr achieves better pre-training loss for BERT and UL2 language models while requiring 20-33% fewer FLOPs compared to standard training, and is competitive or better than other efficient training methods. Furthermore, RaPTr shows better downstream performance on UL2, improving QA tasks and SuperGLUE by 1-5% compared to standard training and stacking. Finally, we provide a theoretical basis for RaPTr to justify (a) the increasing complexity of subnetworks in stages, and (b) the stability in loss across stage transitions due to residual connections and layer norm.  ( 2 min )

We study the problem of Bayesian fixed-budget best-arm identification (BAI) in structured bandits. We propose an algorithm that uses fixed allocations based on the prior information and the structure of the environment. We provide theoretical bounds on its performance across diverse models, including the first prior-dependent upper bounds for linear and hierarchical BAI. Our key contribution is introducing new proof methods that result in tighter bounds for multi-armed BAI compared to existing methods. We extensively compare our approach to other fixed-budget BAI methods, demonstrating its consistent and robust performance in various settings. Our work improves our understanding of Bayesian fixed-budget BAI in structured bandits and highlights the effectiveness of our approach in practical scenarios.  ( 2 min )

Despite recent community revelations about the advancements and potential of Large Language Models (LLMs) in understanding Text-Attributed Graphs (TAG), the deployment of LLMs for production is hindered by their high computational and storage requirements, as well as long latencies during inference. Simultaneously, although traditional Graph Neural Networks (GNNs) are light weight and adept at learning structural features of graphs, their ability to grasp the complex semantics in TAGs is somewhat constrained for real applications. To address these limitations, we concentrate on the downstream task of node classification in TAG and propose a novel graph knowledge distillation framework, termed Linguistic Graph Knowledge Distillation (LinguGKD), using LLMs as teacher models and GNNs as student models for knowledge distillation. It involves TAG-oriented instruction tuning of LLM on designed node classification prompts, followed by aligning the hierarchically learned node features of the teacher LLM and the student GNN in latent space, employing a layer-adaptive contrastive learning strategy. Through extensive experiments on a variety of LLM and GNN models and multiple benchmark datasets, the proposed LinguGKD significantly boosts the student GNN's predictive accuracy and convergence rate, without the need of extra data or model parameters. Compared to teacher LLM, distilled GNN achieves superior inference speed equipped with much fewer computing and storage demands, when surpassing the teacher LLM's classification performance on some of benchmark datasets.  ( 2 min )

Cloud-based large language models (LLMs) such as ChatGPT have increasingly become integral to daily operations, serving as vital tools across various applications. While these models offer substantial benefits in terms of accessibility and functionality, they also introduce significant privacy concerns: the transmission and storage of user data in cloud infrastructures pose substantial risks of data breaches and unauthorized access to sensitive information; even if the transmission and storage of data is encrypted, the LLM service provider itself still knows the real contents of the data, preventing individuals or entities from confidently using such LLM services. To address these concerns, this paper proposes a simple yet effective mechanism PromptCrypt to protect user privacy. It uses Emoji to encrypt the user inputs before sending them to LLM, effectively rendering them indecipherable to human or LLM's examination while retaining the original intent of the prompt, thus ensuring the model's performance remains unaffected. We conduct experiments on three tasks, personalized recommendation, sentiment analysis, and tabular data analysis. Experiment results reveal that PromptCrypt can encrypt personal information within prompts in such a manner that not only prevents the discernment of sensitive data by humans or LLM itself, but also maintains or even improves the precision without further tuning, achieving comparable or even better task accuracy than directly prompting the LLM without prompt encryption. These results highlight the practicality of adopting encryption measures that safeguard user privacy without compromising the functional integrity and performance of LLMs. Code and dataset are available at https://github.com/agiresearch/PromptCrypt.  ( 3 min )

In this paper, we propose a new decoding method called Permute-and-Flip (PF) decoder. It enjoys robustness properties similar to the standard sampling decoder, but is provably up to 2x better in its quality-robustness tradeoff than sampling and never worse than any other decoder. We also design a cryptographic watermarking scheme analogous to Aaronson's Gumbel watermark, but naturally tailored for PF decoder. The watermarking scheme does not change the distribution to sample, while allowing arbitrarily low false positive rate and high recall whenever the generated text has high entropy. Our experiments show that the PF decoder (and its watermarked counterpart) significantly outperform(s) naive sampling (and it's Gumbel watermarked counterpart) in terms of perplexity, while retaining the same robustness (and detectability), hence making it a promising new approach for LLM decoding. The code is available at https://github.com/XuandongZhao/pf-decoding  ( 2 min )

Discrete diffusion or flow models could enable faster and more controllable sequence generation than autoregressive models. We show that na\"ive linear flow matching on the simplex is insufficient toward this goal since it suffers from discontinuities in the training target and further pathologies. To overcome this, we develop Dirichlet flow matching on the simplex based on mixtures of Dirichlet distributions as probability paths. In this framework, we derive a connection between the mixtures' scores and the flow's vector field that allows for classifier and classifier-free guidance. Further, we provide distilled Dirichlet flow matching, which enables one-step sequence generation with minimal performance hits, resulting in $O(L)$ speedups compared to autoregressive models. On complex DNA sequence generation tasks, we demonstrate superior performance compared to all baselines in distributional metrics and in achieving desired design targets for generated sequences. Finally, we show that our classifier-free guidance approach improves unconditional generation and is effective for generating DNA that satisfies design targets. Code is available at https://github.com/HannesStark/dirichlet-flow-matching.  ( 2 min )

Protein language models are a powerful tool for learning protein representations through pre-training on vast protein sequence datasets. However, traditional protein language models lack explicit structural supervision, despite its relevance to protein function. To address this issue, we introduce the integration of remote homology detection to distill structural information into protein language models without requiring explicit protein structures as input. We evaluate the impact of this structure-informed training on downstream protein function prediction tasks. Experimental results reveal consistent improvements in function annotation accuracy for EC number and GO term prediction. Performance on mutant datasets, however, varies based on the relationship between targeted properties and protein structures. This underscores the importance of considering this relationship when applying structure-aware training to protein function prediction tasks. Code and model weights are available at https://github.com/DeepGraphLearning/esm-s.  ( 2 min )

Recent advances in self-supervised speech models have shown significant improvement in many downstream tasks. However, these models predominantly centered on frame-level training objectives, which can fall short in spoken language understanding tasks that require semantic comprehension. Existing works often rely on additional speech-text data as intermediate targets, which is costly in the real-world setting. To address this challenge, we propose Pseudo-Word HuBERT (PW-HuBERT), a framework that integrates pseudo word-level targets into the training process, where the targets are derived from a visually-ground speech model, notably eliminating the need for speech-text paired data. Our experimental results on four spoken language understanding (SLU) benchmarks suggest the superiority of our model in capturing semantic information.  ( 2 min )

Introduction This study explores the use of the latest You Only Look Once (YOLO V7) object detection method to enhance kidney detection in medical imaging by training and testing a modified YOLO V7 on medical image formats. Methods Study includes 878 patients with various subtypes of renal cell carcinoma (RCC) and 206 patients with normal kidneys. A total of 5657 MRI scans for 1084 patients were retrieved. 326 patients with 1034 tumors recruited from a retrospective maintained database, and bounding boxes were drawn around their tumors. A primary model was trained on 80% of annotated cases, with 20% saved for testing (primary test set). The best primary model was then used to identify tumors in the remaining 861 patients and bounding box coordinates were generated on their scans using the model. Ten benchmark training sets were created with generated coordinates on not-segmented patients. The final model used to predict the kidney in the primary test set. We reported the positive predictive value (PPV), sensitivity, and mean average precision (mAP). Results The primary training set showed an average PPV of 0.94 +/- 0.01, sensitivity of 0.87 +/- 0.04, and mAP of 0.91 +/- 0.02. The best primary model yielded a PPV of 0.97, sensitivity of 0.92, and mAP of 0.95. The final model demonstrated an average PPV of 0.95 +/- 0.03, sensitivity of 0.98 +/- 0.004, and mAP of 0.95 +/- 0.01. Conclusion Using a semi-supervised approach with a medical image library, we developed a high-performing model for kidney detection. Further external validation is required to assess the model's generalizability.  ( 3 min )

Transformers have achieved state-of-the-art performance in language modeling tasks. However, the reasons behind their tremendous success are still unclear. In this paper, towards a better understanding, we train a Transformer model on a simple next token prediction task, where sequences are generated as a first-order autoregressive process $s_{t+1} = W s_t$. We show how a trained Transformer predicts the next token by first learning $W$ in-context, then applying a prediction mapping. We call the resulting procedure in-context autoregressive learning. More precisely, focusing on commuting orthogonal matrices $W$, we first show that a trained one-layer linear Transformer implements one step of gradient descent for the minimization of an inner objective function, when considering augmented tokens. When the tokens are not augmented, we characterize the global minima of a one-layer diagonal linear multi-head Transformer. Importantly, we exhibit orthogonality between heads and show that positional encoding captures trigonometric relations in the data. On the experimental side, we consider the general case of non-commuting orthogonal matrices and generalize our theoretical findings.  ( 2 min )

In this paper, we propose R$^3$: Learning Reasoning through Reverse Curriculum Reinforcement Learning (RL), a novel method that employs only outcome supervision to achieve the benefits of process supervision for large language models. The core challenge in applying RL to complex reasoning is to identify a sequence of actions that result in positive rewards and provide appropriate supervision for optimization. Outcome supervision provides sparse rewards for final results without identifying error locations, whereas process supervision offers step-wise rewards but requires extensive manual annotation. R$^3$ overcomes these limitations by learning from correct demonstrations. Specifically, R$^3$ progressively slides the start state of reasoning from a demonstration's end to its beginning, facilitating easier model exploration at all stages. Thus, R$^3$ establishes a step-wise curriculum, allowing outcome supervision to offer step-level signals and precisely pinpoint errors. Using Llama2-7B, our method surpasses RL baseline on eight reasoning tasks by $4.1$ points on average. Notebaly, in program-based reasoning on GSM8K, it exceeds the baseline by $4.2$ points across three backbone models, and without any extra data, Codellama-7B + R$^3$ performs comparable to larger models or closed-source models.  ( 2 min )

Recent progress in studying \emph{treelike committee machines} (TCM) neural networks (NN) in \cite{Stojnictcmspnncaprdt23,Stojnictcmspnncapliftedrdt23,Stojnictcmspnncapdiffactrdt23} showed that the Random Duality Theory (RDT) and its a \emph{partially lifted}(pl RDT) variant are powerful tools that can be used for very precise networks capacity analysis. Here, we consider \emph{wide} hidden layer networks and uncover that certain aspects of numerical difficulties faced in \cite{Stojnictcmspnncapdiffactrdt23} miraculously disappear. In particular, we employ recently developed \emph{fully lifted} (fl) RDT to characterize the \emph{wide} ($d\rightarrow \infty$) TCM nets capacity. We obtain explicit, closed form, capacity characterizations for a very generic class of the hidden layer activations. While the utilized approach significantly lowers the amount of the needed numerical evaluations, the ultimate fl RDT usefulness and success still require a solid portion of the residual numerical work. To get the concrete capacity values, we take four very famous activations examples: \emph{\textbf{ReLU}}, \textbf{\emph{quadratic}}, \textbf{\emph{erf}}, and \textbf{\emph{tanh}}. After successfully conducting all the residual numerical work for all of them, we uncover that the whole lifting mechanism exhibits a remarkably rapid convergence with the relative improvements no better than $\sim 0.1\%$ happening already on the 3-rd level of lifting. As a convenient bonus, we also uncover that the capacity characterizations obtained on the first and second level of lifting precisely match those obtained through the statistical physics replica theory methods in \cite{ZavPeh21} for the generic and in \cite{BalMalZech19} for the ReLU activations.  ( 3 min )

Recent developments in foundation models, like Large Language Models (LLMs) and Vision-Language Models (VLMs), trained on extensive data, facilitate flexible application across different tasks and modalities. Their impact spans various fields, including healthcare, education, and robotics. This paper provides an overview of the practical application of foundation models in real-world robotics, with a primary emphasis on the replacement of specific components within existing robot systems. The summary encompasses the perspective of input-output relationships in foundation models, as well as their role in perception, motion planning, and control within the field of robotics. This paper concludes with a discussion of future challenges and implications for practical robot applications.  ( 2 min )

Information theoretic quantities play a central role in machine learning. The recent surge in the complexity of data and models has increased the demand for accurate estimation of these quantities. However, as the dimension grows the estimation presents significant challenges, with existing methods struggling already in relatively low dimensions. To address this issue, in this work, we introduce $\texttt{REMEDI}$ for efficient and accurate estimation of differential entropy, a fundamental information theoretic quantity. The approach combines the minimization of the cross-entropy for simple, adaptive base models and the estimation of their deviation, in terms of the relative entropy, from the data density. Our approach demonstrates improvement across a broad spectrum of estimation tasks, encompassing entropy estimation on both synthetic and natural data. Further, we extend important theoretical consistency results to a more generalized setting required by our approach. We illustrate how the framework can be naturally extended to information theoretic supervised learning models, with a specific focus on the Information Bottleneck approach. It is demonstrated that the method delivers better accuracy compared to the existing methods in Information Bottleneck. In addition, we explore a natural connection between $\texttt{REMEDI}$ and generative modeling using rejection sampling and Langevin dynamics.  ( 2 min )

This paper addresses the multiple two-sample test problem in a graph-structured setting, which is a common scenario in fields such as Spatial Statistics and Neuroscience. Each node $v$ in fixed graph deals with a two-sample testing problem between two node-specific probability density functions (pdfs), $p_v$ and $q_v$. The goal is to identify nodes where the null hypothesis $p_v = q_v$ should be rejected, under the assumption that connected nodes would yield similar test outcomes. We propose the non-parametric collaborative two-sample testing (CTST) framework that efficiently leverages the graph structure and minimizes the assumptions over $p_v$ and $q_v$. Our methodology integrates elements from f-divergence estimation, Kernel Methods, and Multitask Learning. We use synthetic experiments and a real sensor network detecting seismic activity to demonstrate that CTST outperforms state-of-the-art non-parametric statistical tests that apply at each node independently, hence disregard the geometry of the problem.  ( 2 min )

We consider the capacity of \emph{treelike committee machines} (TCM) neural networks. Relying on Random Duality Theory (RDT), \cite{Stojnictcmspnncaprdt23} recently introduced a generic framework for their capacity analysis. An upgrade based on the so-called \emph{partially lifted} RDT (pl RDT) was then presented in \cite{Stojnictcmspnncapliftedrdt23}. Both lines of work focused on the networks with the most typical, \emph{sign}, activations. Here, on the other hand, we focus on networks with other, more general, types of activations and show that the frameworks of \cite{Stojnictcmspnncaprdt23,Stojnictcmspnncapliftedrdt23} are sufficiently powerful to enable handling of such scenarios as well. In addition to the standard \emph{linear} activations, we uncover that particularly convenient results can be obtained for two very commonly used activations, namely, the \emph{quadratic} and \emph{rectified linear unit (ReLU)} ones. In more concrete terms, for each of these activations, we obtain both the RDT and pl RDT based memory capacities upper bound characterization for \emph{any} given (even) number of the hidden layer neurons, $d$. In the process, we also uncover the following two, rather remarkable, facts: 1) contrary to the common wisdom, both sets of results show that the bounding capacity decreases for large $d$ (the width of the hidden layer) while converging to a constant value; and 2) the maximum bounding capacity is achieved for the networks with precisely \textbf{\emph{two}} hidden layer neurons! Moreover, the large $d$ converging values are observed to be in excellent agrement with the statistical physics replica theory based predictions.  ( 3 min )

The integration of physiological computing into mixed-initiative human-robot interaction systems offers valuable advantages in autonomous task allocation by incorporating real-time features as human state observations into the decision-making system. This approach may alleviate the cognitive load on human operators by intelligently allocating mission tasks between agents. Nevertheless, accommodating a diverse pool of human participants with varying physiological and behavioral measurements presents a substantial challenge. To address this, resorting to a probabilistic framework becomes necessary, given the inherent uncertainty and partial observability on the human's state. Recent research suggests to learn a Partially Observable Markov Decision Process (POMDP) model from a data set of previously collected experiences that can be solved using Offline Reinforcement Learning (ORL) methods. In the present work, we not only highlight the potential of partially observable representations and physiological measurements to improve human operator state estimation and performance, but also enhance the overall mission effectiveness of a human-robot team. Importantly, as the fixed data set may not contain enough information to fully represent complex stochastic processes, we propose a method to incorporate model uncertainty, thus enabling risk-sensitive sequential decision-making. Experiments were conducted with a group of twenty-six human participants within a simulated robot teleoperation environment, yielding empirical evidence of the method's efficacy. The obtained adaptive task allocation policy led to statistically significant higher scores than the one that was used to collect the data set, allowing for generalization across diverse participants also taking into account risk-sensitive metrics.  ( 3 min )

Misuse of the Large Language Models (LLMs) has raised widespread concern. To address this issue, safeguards have been taken to ensure that LLMs align with social ethics. However, recent findings have revealed an unsettling vulnerability bypassing the safeguards of LLMs, known as jailbreak attacks. By applying techniques, such as employing role-playing scenarios, adversarial examples, or subtle subversion of safety objectives as a prompt, LLMs can produce an inappropriate or even harmful response. While researchers have studied several categories of jailbreak attacks, they have done so in isolation. To fill this gap, we present the first large-scale measurement of various jailbreak attack methods. We concentrate on 13 cutting-edge jailbreak methods from four categories, 160 questions from 16 violation categories, and six popular LLMs. Our extensive experimental results demonstrate that the optimized jailbreak prompts consistently achieve the highest attack success rates, as well as exhibit robustness across different LLMs. Some jailbreak prompt datasets, available from the Internet, can also achieve high attack success rates on many LLMs, such as ChatGLM3, GPT-3.5, and PaLM2. Despite the claims from many organizations regarding the coverage of violation categories in their policies, the attack success rates from these categories remain high, indicating the challenges of effectively aligning LLM policies and the ability to counter jailbreak attacks. We also discuss the trade-off between the attack performance and efficiency, as well as show that the transferability of the jailbreak prompts is still viable, becoming an option for black-box models. Overall, our research highlights the necessity of evaluating different jailbreak methods. We hope our study can provide insights for future research on jailbreak attacks and serve as a benchmark tool for evaluating them for practitioners.  ( 3 min )

This work investigates adversarial training in the context of margin-based linear classifiers in the high-dimensional regime where the dimension $d$ and the number of data points $n$ diverge with a fixed ratio $\alpha = n / d$. We introduce a tractable mathematical model where the interplay between the data and adversarial attacker geometries can be studied, while capturing the core phenomenology observed in the adversarial robustness literature. Our main theoretical contribution is an exact asymptotic description of the sufficient statistics for the adversarial empirical risk minimiser, under generic convex and non-increasing losses. Our result allow us to precisely characterise which directions in the data are associated with a higher generalisation/robustness trade-off, as defined by a robustness and a usefulness metric. In particular, we unveil the existence of directions which can be defended without penalising accuracy. Finally, we show the advantage of defending non-robust features during training, identifying a uniform protection as an inherently effective defence mechanism.  ( 2 min )

Over the past few years, deep learning methods have been applied for a wide range of Software Engineering (SE) tasks, including in particular for the important task of automatically predicting and localizing faults in software. With the rapid adoption of increasingly complex machine learning models, it however becomes more and more difficult for scholars to reproduce the results that are reported in the literature. This is in particular the case when the applied deep learning models and the evaluation methodology are not properly documented and when code and data are not shared. Given some recent -- and very worrying -- findings regarding reproducibility and progress in other areas of applied machine learning, the goal of this work is to analyze to what extent the field of software engineering, in particular in the area of software fault prediction, is plagued by similar problems. We have therefore conducted a systematic review of the current literature and examined the level of reproducibility of 56 research articles that were published between 2019 and 2022 in top-tier software engineering conferences. Our analysis revealed that scholars are apparently largely aware of the reproducibility problem, and about two thirds of the papers provide code for their proposed deep learning models. However, it turned out that in the vast majority of cases, crucial elements for reproducibility are missing, such as the code of the compared baselines, code for data pre-processing or code for hyperparameter tuning. In these cases, it therefore remains challenging to exactly reproduce the results in the current research literature. Overall, our meta-analysis therefore calls for improved research practices to ensure the reproducibility of machine-learning based research.  ( 3 min )

This paper proposes SAGD-IV, a novel framework for conducting nonparametric instrumental variable (NPIV) regression by employing stochastic approximate gradients to minimize the projected populational risk. Instrumental Variables (IVs) are widely used in econometrics to address estimation problems in the presence of unobservable confounders, and the Machine Learning community has devoted significant effort to improving existing methods and devising new ones in the NPIV setting, which is known to be an ill-posed linear inverse problem. We provide theoretical support for our algorithm and further exemplify its competitive performance through empirical experiments. Furthermore, we address, with promising results, the case of binary outcomes, which has not received as much attention from the community as its continuous counterpart.  ( 2 min )

When humans and autonomous systems operate together as what we refer to as a hybrid team, we of course wish to ensure the team operates successfully and effectively. We refer to team members as agents. In our proposed framework, we address the case of hybrid teams in which, at any time, only one team member (the control agent) is authorized to act as control for the team. To determine the best selection of a control agent, we propose the addition of an AI manager (via Reinforcement Learning) which learns as an outside observer of the team. The manager learns a model of behavior linking observations of agent performance and the environment/world the team is operating in, and from these observations makes the most desirable selection of a control agent. We restrict the manager task by introducing a set of constraints. The manager constraints indicate acceptable team operation, so a violation occurs if the team enters a condition which is unacceptable and requires manager intervention. To ensure minimal added complexity or potential inefficiency for the team, the manager should attempt to minimize the number of times the team reaches a constraint violation and requires subsequent manager intervention. Therefore our manager is optimizing its selection of authorized agents to boost overall team performance while minimizing the frequency of manager intervention. We demonstrate our manager performance in a simulated driving scenario representing the case of a hybrid team of agents composed of a human driver and autonomous driving system. We perform experiments for our driving scenario with interfering vehicles, indicating the need for collision avoidance and proper speed control. Our results indicate a positive impact of our manager, with some cases resulting in increased team performance up to ~187% that of the best solo agent performance.  ( 3 min )

We propose that small pretrained foundational generative language models with millions of parameters can be utilized as a general learning framework for sequence-based tasks. Our proposal overcomes the computational resource, skill set, and timeline challenges associated with training neural networks and language models from scratch. Further, our approach focuses on creating small and highly specialized models that can accurately execute a challenging task of which the base model is incapable of performing. We demonstrate that 125M, 350M, and 1.3B parameter pretrained foundational language models can be instruction fine-tuned with 10,000-to-1,000,000 instruction examples to achieve near state-of-the-art results on challenging cheminformatics tasks. We also demonstrate the role of successive language model fine-tuning epochs on improved outcomes, as well as the importance of both data formatting and pretrained foundational language model selection for instruction fine-tuning success.  ( 2 min )

Large Language Models are prone to biased predictions and hallucinations, underlining the paramount importance of understanding their model-internal reasoning process. However, achieving faithful attributions for the entirety of a black-box transformer model and maintaining computational efficiency is an unsolved challenge. By extending the Layer-wise Relevance Propagation attribution method to handle attention layers, we address these challenges effectively. While partial solutions exist, our method is the first to faithfully and holistically attribute not only input but also latent representations of transformer models with the computational efficiency similar to a singular backward pass. Through extensive evaluations against existing methods on Llama 2, Flan-T5 and the Vision Transformer architecture, we demonstrate that our proposed approach surpasses alternative methods in terms of faithfulness and enables the understanding of latent representations, opening up the door for concept-based explanations. We provide an open-source implementation on GitHub https://github.com/rachtibat/LRP-for-Transformers.  ( 2 min )

Background: Eating disorders are increasingly prevalent, and social networks offer valuable information. Objective: Our goal was to identify efficient machine learning models for categorizing tweets related to eating disorders. Methods: Over three months, we collected tweets about eating disorders. A 2,000-tweet subset was labeled for: (1) being written by individuals with eating disorders, (2) promoting eating disorders, (3) informativeness, and (4) scientific content. Both traditional machine learning and deep learning models were employed for classification, assessing accuracy, F1 score, and computational time. Results: From 1,058,957 collected tweets, transformer-based bidirectional encoder representations achieved the highest F1 scores (71.1%-86.4%) across all four categories. Conclusions: Transformer-based models outperform traditional techniques in classifying eating disorder-related tweets, though they require more computational resources.  ( 2 min )

In this chapter we illustrate the use of some Machine Learning techniques in the context of omics data. More precisely, we review and evaluate the use of Random Forest and Penalized Multinomial Logistic Regression for integrative analysis of genomics and immunomics in pancreatic cancer. Furthermore, we propose the use of association rules with predictive purposes to overcome the low predictive power of the previously mentioned models. Finally, we apply the reviewed methods to a real data set from TCGA made of 107 tumoral pancreatic samples and 117,486 germline SNPs, showing the good performance of the proposed methods to predict the immunological infiltration in pancreatic cancer.  ( 2 min )

We consider the problem of learning local quantum Hamiltonians given copies of their Gibbs state at a known inverse temperature, following Haah et al. [2108.04842] and Bakshi et al. [arXiv:2310.02243]. Our main technical contribution is a new flat polynomial approximation of the exponential function based on the Chebyshev expansion, which enables the formulation of learning quantum Hamiltonians as a polynomial optimization problem. This, in turn, can benefit from the use of moment/SOS relaxations, whose polynomial bit complexity requires careful analysis [O'Donnell, ITCS 2017]. Finally, we show that learning a $k$-local Hamiltonian, whose dual interaction graph is of bounded degree, runs in polynomial time under mild assumptions.  ( 2 min )

Mixture of Experts (MoE) has become a key ingredient for scaling large foundation models while keeping inference costs steady. We show that expert routing strategies that have cross-batch dependencies are vulnerable to attacks. Malicious queries can be sent to a model and can affect a model's output on other benign queries if they are grouped in the same batch. We demonstrate this via a proof-of-concept attack in a toy experimental setting.  ( 2 min )

Mixed Integer Linear Programming (MILP) is a pillar of mathematical optimization that offers a powerful modeling language for a wide range of applications. During the past decades, enormous algorithmic progress has been made in solving MILPs, and many commercial and academic software packages exist. Nevertheless, the availability of data, both from problem instances and from solvers, and the desire to solve new problems and larger (real-life) instances, trigger the need for continuing algorithmic development. MILP solvers use branch and bound as their main component. In recent years, there has been an explosive development in the use of machine learning algorithms for enhancing all main tasks involved in the branch-and-bound algorithm, such as primal heuristics, branching, cutting planes, node selection and solver configuration decisions. This paper presents a survey of such approaches, addressing the vision of integration of machine learning and mathematical optimization as complementary technologies, and how this integration can benefit MILP solving. In particular, we give detailed attention to machine learning algorithms that automatically optimize some metric of branch-and-bound efficiency. We also address how to represent MILPs in the context of applying learning algorithms, MILP benchmarks and software.  ( 2 min )

In this paper, we first present the character texture generation system \textit{Minecraft-ify}, specified to Minecraft video game toward in-game application. Ours can generate face-focused image for texture mapping tailored to 3D virtual character having cube manifold. While existing projects or works only generate texture, proposed system can inverse the user-provided real image, or generate average/random appearance from learned distribution. Moreover, it can be manipulated with text-guidance using StyleGAN and StyleCLIP. These features provide a more extended user experience with enlarged freedom as a user-friendly AI-tool. Project page can be found at https://gh-bumsookim.github.io/Minecraft-ify/  ( 2 min )

In practical scenarios involving the measurement of surface electromyography (sEMG) in muscles, particularly those areas near the heart, one of the primary sources of contamination is the presence of electrocardiogram (ECG) signals. To assess the quality of real-world sEMG data more effectively, this study proposes QASE-net, a new non-intrusive model that predicts the SNR of sEMG signals. QASE-net combines CNN-BLSTM with attention mechanisms and follows an end-to-end training strategy. Our experimental framework utilizes real-world sEMG and ECG data from two open-access databases, the Non-Invasive Adaptive Prosthetics Database and the MIT-BIH Normal Sinus Rhythm Database, respectively. The experimental results demonstrate the superiority of QASE-net over the previous assessment model, exhibiting significantly reduced prediction errors and notably higher linear correlations with the ground truth. These findings show the potential of QASE-net to substantially enhance the reliability and precision of sEMG quality assessment in practical applications.  ( 2 min )

Large Language Models (LLMs) play a pivotal role in generating vast arrays of narratives, facilitating a systematic exploration of their effectiveness for communicating life events in narrative form. In this study, we employ a zero-shot structured narrative prompt to generate 24,000 narratives using OpenAI's GPT-4. From this dataset, we manually classify 2,880 narratives and evaluate their validity in conveying birth, death, hiring, and firing events. Remarkably, 87.43% of the narratives sufficiently convey the intention of the structured prompt. To automate the identification of valid and invalid narratives, we train and validate nine Machine Learning models on the classified datasets. Leveraging these models, we extend our analysis to predict the classifications of the remaining 21,120 narratives. All the ML models excelled at classifying valid narratives as valid, but experienced challenges at simultaneously classifying invalid narratives as invalid. Our findings not only advance the study of LLM capabilities, limitations, and validity but also offer practical insights for narrative generation and natural language processing applications.  ( 2 min )

Captcha are widely used to secure systems from automatic responses by distinguishing computer responses from human responses. Text, audio, video, picture picture-based Optical Character Recognition (OCR) are used for creating captcha. Text-based OCR captcha are the most often used captcha which faces issues namely, complex and distorted contents. There are attempts to build captcha detection and classification-based systems using machine learning and neural networks, which need to be tuned for accuracy. The existing systems face challenges in the recognition of distorted characters, handling variable-length captcha and finding sequential dependencies in captcha. In this work, we propose a segmentation-free OCR model for text captcha classification based on the connectionist temporal classification loss technique. The proposed model is trained and tested on a publicly available captcha dataset. The proposed model gives 99.80\% character level accuracy, while 95\% word level accuracy. The accuracy of the proposed model is compared with the state-of-the-art models and proves to be effective. The variable length complex captcha can be thus processed with the segmentation-free connectionist temporal classification loss technique with dependencies which will be massively used in securing the software systems.  ( 2 min )

Masked Autoencoder~(MAE) is a prevailing self-supervised learning method that achieves promising results in model pre-training. However, when the various downstream tasks have data distributions different from the pre-training data, the semantically irrelevant pre-training information might result in negative transfer, impeding MAE's scalability. To address this issue, we propose a novel MAE-based pre-training paradigm, Mixture of Cluster-conditional Experts (MoCE), which can be trained once but provides customized pre-training models for diverse downstream tasks. Different from the mixture of experts (MoE), our MoCE trains each expert only with semantically relevant images by using cluster-conditional gates. Thus, each downstream task can be allocated to its customized model pre-trained with data most similar to the downstream data. Experiments on a collection of 11 downstream tasks show that MoCE outperforms the vanilla MAE by 2.45\% on average. It also obtains new state-of-the-art self-supervised learning results on detection and segmentation.  ( 2 min )

Knowledge Graphs (KGs) play a pivotal role in advancing various AI applications, with the semantic web community's exploration into multi-modal dimensions unlocking new avenues for innovation. In this survey, we carefully review over 300 articles, focusing on KG-aware research in two principal aspects: KG-driven Multi-Modal (KG4MM) learning, where KGs support multi-modal tasks, and Multi-Modal Knowledge Graph (MM4KG), which extends KG studies into the MMKG realm. We begin by defining KGs and MMKGs, then explore their construction progress. Our review includes two primary task categories: KG-aware multi-modal learning tasks, such as Image Classification and Visual Question Answering, and intrinsic MMKG tasks like Multi-modal Knowledge Graph Completion and Entity Alignment, highlighting specific research trajectories. For most of these tasks, we provide definitions, evaluation benchmarks, and additionally outline essential insights for conducting relevant research. Finally, we discuss current challenges and identify emerging trends, such as progress in Large Language Modeling and Multi-modal Pre-training strategies. This survey aims to serve as a comprehensive reference for researchers already involved in or considering delving into KG and multi-modal learning research, offering insights into the evolving landscape of MMKG research and supporting future work.  ( 2 min )

The use of deep learning has become increasingly popular in reduced-order models (ROMs) to obtain low-dimensional representations of full-order models. Convolutional autoencoders (CAEs) are often used to this end as they are adept at handling data that are spatially distributed, including solutions to partial differential equations. When applied to unsteady physics problems, ROMs also require a model for time-series prediction of the low-dimensional latent variables. Long short-term memory (LSTM) networks, a type of recurrent neural network useful for modeling sequential data, are frequently employed in data-driven ROMs for autoregressive time-series prediction. When making predictions at unseen design points over long time horizons, error propagation is a frequently encountered issue, where errors made early on can compound over time and lead to large inaccuracies. In this work, we propose using bagging, a commonly used ensemble learning technique, to develop a fully data-driven ROM framework referred to as the CAE-eLSTM ROM that uses CAEs for spatial reconstruction of the full-order model and LSTM ensembles for time-series prediction. When applied to two unsteady fluid dynamics problems, our results show that the presented framework effectively reduces error propagation and leads to more accurate time-series prediction of latent variables at unseen points.  ( 2 min )

Foundation models, such as Large language Models (LLMs), have attracted significant amount of interest due to their large number of applications. Existing works show that appropriate prompt design, such as Chain-of-Thoughts, can unlock LLM's powerful capacity in diverse areas. However, when handling tasks involving repetitive sub-tasks and/or deceptive contents, such as arithmetic calculation and article-level fake news detection, existing prompting strategies either suffers from insufficient expressive power or intermediate errors triggered by hallucination. To make LLM more discerning to such intermediate errors, we propose to guide LLM with a Divide-and-Conquer program that simultaneously ensures superior expressive power and disentangles task decomposition, sub-task resolution, and resolution assembly process. Theoretic analysis reveals that our strategy can guide LLM to extend the expressive power of fixed-depth Transformer. Experiments indicate that our proposed method can achieve better performance than typical prompting strategies in tasks bothered by intermediate errors and deceptive contents, such as large integer multiplication, hallucination detection and misinformation detection.  ( 2 min )

Humans and other animals aptly exhibit general intelligence behaviors in solving a variety of tasks with flexibility and ability to adapt to novel situations by reusing and applying high level knowledge acquired over time. But artificial agents are more of a specialist, lacking such generalist behaviors. Artificial agents will require understanding and exploiting critical structured knowledge representations. We present a metacognitive generalization framework, Knowledge-Interaction-eXecution (KIX), and argue that interactions with objects leveraging type space facilitate the learning of transferable interaction concepts and generalization. It is a natural way of integrating knowledge into reinforcement learning and promising to act as an enabler for autonomous and generalist behaviors in artificial intelligence systems.  ( 2 min )

An open scientific challenge is how to classify events with reliable measures of uncertainty, when we have a mechanistic model of the data-generating process but the distribution over both labels and latent nuisance parameters is different between train and target data. We refer to this type of distributional shift as generalized label shift (GLS). Direct classification using observed data $\mathbf{X}$ as covariates leads to biased predictions and invalid uncertainty estimates of labels $Y$. We overcome these biases by proposing a new method for robust uncertainty quantification that casts classification as a hypothesis testing problem under nuisance parameters. The key idea is to estimate the classifier's receiver operating characteristic (ROC) across the entire nuisance parameter space, which allows us to devise cutoffs that are invariant under GLS. Our method effectively endows a pre-trained classifier with domain adaptation capabilities and returns valid prediction sets while maintaining high power. We demonstrate its performance on two challenging scientific problems in biology and astroparticle physics with data from realistic mechanistic models.  ( 2 min )

Information retrieval is a rapidly evolving field of information retrieval, which is characterized by a continuous refinement of techniques and technologies, from basic hyperlink-based navigation to sophisticated algorithm-driven search engines. This paper aims to provide a comprehensive overview of the evolution of Information Retrieval Technology, with a particular focus on the role of Large Language Models (LLMs) in bridging the gap between traditional search methods and the emerging paradigm of answer retrieval. The integration of LLMs in the realms of response retrieval and indexing signifies a paradigm shift in how users interact with information systems. This paradigm shift is driven by the integration of large language models (LLMs) like GPT-4, which are capable of understanding and generating human-like text, thus enabling them to provide more direct and contextually relevant answers to user queries. Through this exploration, we seek to illuminate the technological milestones that have shaped this journey and the potential future directions in this rapidly changing field.  ( 2 min )

This paper introduces a public dataset of 1.4 million procedurally-generated bicycle designs represented parametrically, as JSON files, and as rasterized images. The dataset is created through the use of a rendering engine which harnesses the BikeCAD software to generate vector graphics from parametric designs. This rendering engine is discussed in the paper and also released publicly alongside the dataset. Though this dataset has numerous applications, a principal motivation is the need to train cross-modal predictive models between parametric and image-based design representations. For example, we demonstrate that a predictive model can be trained to accurately estimate Contrastive Language-Image Pretraining (CLIP) embeddings from a parametric representation directly. This allows similarity relations to be established between parametric bicycle designs and text strings or reference images. Trained predictive models are also made public. The dataset joins the BIKED dataset family which includes thousands of mixed-representation human-designed bicycle models and several datasets quantifying design performance. The code and dataset can be found at: https://github.com/Lyleregenwetter/BIKED_multimodal/tree/main  ( 2 min )

Neurosymbolic AI combines the interpretability, parsimony, and explicit reasoning of classical symbolic approaches with the statistical learning of data-driven neural approaches. Models and policies that are simultaneously differentiable and interpretable may be key enablers of this marriage. This paper demonstrates three pathways to implementing such models and policies in a real-world reinforcement learning setting. Specifically, we study a broad class of neural networks that build interpretable semantics directly into their architecture. We reveal and highlight both the potential and the essential difficulties of combining logic, simulation, and learning. One lesson is that learning benefits from continuity and differentiability, but classical logic is discrete and non-differentiable. The relaxation to real-valued, differentiable representations presents a trade-off; the more learnable, the less interpretable. Another lesson is that using logic in the context of a numerical simulation involves a non-trivial mapping from raw (e.g., real-valued time series) simulation data to logical predicates. Some open questions this note exposes include: What are the limits of rule-based controllers, and how learnable are they? Do the differentiable interpretable approaches discussed here scale to large, complex, uncertain systems? Can we truly achieve interpretability? We highlight these and other themes across the three approaches.  ( 2 min )

Understanding the mechanisms through which neural networks extract statistics from input-label pairs is one of the most important unsolved problems in supervised learning. Prior works have identified that the gram matrices of the weights in trained neural networks of general architectures are proportional to the average gradient outer product of the model, in a statement known as the Neural Feature Ansatz (NFA). However, the reason these quantities become correlated during training is poorly understood. In this work, we explain the emergence of this correlation. We identify that the NFA is equivalent to alignment between the left singular structure of the weight matrices and a significant component of the empirical neural tangent kernels associated with those weights. We establish that the NFA introduced in prior works is driven by a centered NFA that isolates this alignment. We show that the speed of NFA development can be predicted analytically at early training times in terms of simple statistics of the inputs and labels. Finally, we introduce a simple intervention to increase NFA correlation at any given layer, which dramatically improves the quality of features learned.  ( 2 min )

With an increasing focus in STEM education on critical thinking skills, science writing plays an ever more important role in curricula that stress inquiry skills. A recently published dataset of two sets of college level lab reports from an inquiry-based physics curriculum relies on analytic assessment rubrics that utilize multiple dimensions, specifying subject matter knowledge and general components of good explanations. Each analytic dimension is assessed on a 6-point scale, to provide detailed feedback to students that can help them improve their science writing skills. Manual assessment can be slow, and difficult to calibrate for consistency across all students in large classes. While much work exists on automated assessment of open-ended questions in STEM subjects, there has been far less work on long-form writing such as lab reports. We present an end-to-end neural architecture that has separate verifier and assessment modules, inspired by approaches to Open Domain Question Answering (OpenQA). VerAs first verifies whether a report contains any content relevant to a given rubric dimension, and if so, assesses the relevant sentences. On the lab reports, VerAs outperforms multiple baselines based on OpenQA systems or Automated Essay Scoring (AES). VerAs also performs well on an analytic rubric for middle school physics essays.  ( 2 min )

Accurate brain tumor segmentation in the early stages of the disease is crucial for the treatment's effectiveness, avoiding exhaustive visual inspection of a qualified specialist on 3D MR brain images of multiple protocols (e.g., T1, T2, T2-FLAIR, T1-Gd). Several networks exist for Glioma segmentation, being nnU-Net one of the best. In this work, we evaluate self-calibrated convolutions in different parts of the nnU-Net network to demonstrate that self-calibrated modules in skip connections can significantly improve the enhanced-tumor and tumor-core segmentation accuracy while preserving the wholetumor segmentation accuracy.  ( 2 min )

We consider the parameter estimation problem in the deviated Gaussian mixture of experts in which the data are generated from $(1 - \lambda^{\ast}) g_0(Y| X)+ \lambda^{\ast} \sum_{i = 1}^{k_{\ast}} p_{i}^{\ast} f(Y|(a_{i}^{\ast})^{\top}X+b_i^{\ast},\sigma_{i}^{\ast})$, where $X, Y$ are respectively a covariate vector and a response variable, $g_{0}(Y|X)$ is a known function, $\lambda^{\ast} \in [0, 1]$ is true but unknown mixing proportion, and $(p_{i}^{\ast}, a_{i}^{\ast}, b_{i}^{\ast}, \sigma_{i}^{\ast})$ for $1 \leq i \leq k^{\ast}$ are unknown parameters of the Gaussian mixture of experts. This problem arises from the goodness-of-fit test when we would like to test whether the data are generated from $g_{0}(Y|X)$ (null hypothesis) or they are generated from the whole mixture (alternative hypothesis). Based on the algebraic structure of the expert functions and the distinguishability between $g_0$ and the mixture part, we construct novel Voronoi-based loss functions to capture the convergence rates of maximum likelihood estimation (MLE) for our models. We further demonstrate that our proposed loss functions characterize the local convergence rates of parameter estimation more accurately than the generalized Wasserstein, a loss function being commonly used for estimating parameters in the Gaussian mixture of experts.  ( 2 min )

Diffusion models have enabled remarkably high-quality medical image generation, which can help mitigate the expenses of acquiring and annotating new images by supplementing small or imbalanced datasets, along with other applications. However, these are hampered by the challenge of enforcing global anatomical realism in generated images. To this end, we propose a diffusion model for anatomically-controlled medical image generation. Our model follows a multi-class anatomical segmentation mask at each sampling step and incorporates a \textit{random mask ablation} training algorithm, to enable conditioning on a selected combination of anatomical constraints while allowing flexibility in other anatomical areas. This also improves the network's learning of anatomical realism for the completely unconditional (unconstrained generation) case. Comparative evaluation on breast MRI and abdominal/neck-to-pelvis CT datasets demonstrates superior anatomical realism and input mask faithfulness over state-of-the-art models. We also offer an accessible codebase and release a dataset of generated paired breast MRIs. Our approach facilitates diverse applications, including pre-registered image generation, counterfactual scenarios, and others.  ( 2 min )

Large Language Models (LLMs) create exciting possibilities for powerful language processing tools to accelerate research in materials science. While LLMs have great potential to accelerate materials understanding and discovery, they currently fall short in being practical materials science tools. In this position paper, we show relevant failure cases of LLMs in materials science that reveal current limitations of LLMs related to comprehending and reasoning over complex, interconnected materials science knowledge. Given those shortcomings, we outline a framework for developing Materials Science LLMs (MatSci-LLMs) that are grounded in materials science knowledge and hypothesis generation followed by hypothesis testing. The path to attaining performant MatSci-LLMs rests in large part on building high-quality, multi-modal datasets sourced from scientific literature where various information extraction challenges persist. As such, we describe key materials science information extraction challenges which need to be overcome in order to build large-scale, multi-modal datasets that capture valuable materials science knowledge. Finally, we outline a roadmap for applying future MatSci-LLMs for real-world materials discovery via: 1. Automated Knowledge Base Generation; 2. Automated In-Silico Material Design; and 3. MatSci-LLM Integrated Self-Driving Materials Laboratories.  ( 2 min )

In our effort to facilitate machine learning-assisted computational fluid dynamics (CFD), we introduce the second iteration of JAX-Fluids. JAX-Fluids is a Python-based fully-differentiable CFD solver designed for compressible single- and two-phase flows. In this work, the first version is extended to incorporate high-performance computing (HPC) capabilities. We introduce a parallelization strategy utilizing JAX primitive operations that scales efficiently on GPU (up to 512 NVIDIA A100 graphics cards) and TPU (up to 1024 TPU v3 cores) HPC systems. We further demonstrate the stable parallel computation of automatic differentiation gradients across extended integration trajectories. The new code version offers enhanced two-phase flow modeling capabilities. In particular, a five-equation diffuse-interface model is incorporated which complements the level-set sharp-interface model. Additional algorithmic improvements include positivity-preserving limiters for increased robustness, support for stretched Cartesian meshes, refactored I/O handling, comprehensive post-processing routines, and an updated list of state-of-the-art high-order numerical discretization schemes. We verify newly added numerical models by showcasing simulation results for single- and two-phase flows, including turbulent boundary layer and channel flows, air-helium shock bubble interactions, and air-water shock drop interactions.  ( 2 min )

Policy Mirror Descent (PMD) is a popular framework in reinforcement learning, serving as a unifying perspective that encompasses numerous algorithms. These algorithms are derived through the selection of a mirror map and enjoy finite-time convergence guarantees. Despite its popularity, the exploration of PMD's full potential is limited, with the majority of research focusing on a particular mirror map -- namely, the negative entropy -- which gives rise to the renowned Natural Policy Gradient (NPG) method. It remains uncertain from existing theoretical studies whether the choice of mirror map significantly influences PMD's efficacy. In our work, we conduct empirical investigations to show that the conventional mirror map choice (NPG) often yields less-than-optimal outcomes across several standard benchmark environments. By applying a meta-learning approach, we identify more efficient mirror maps that enhance performance, both on average and in terms of best performance achieved along the training trajectory. We analyze the characteristics of these learned mirror maps and reveal shared traits among certain settings. Our results suggest that mirror maps have the potential to be adaptable across various environments, raising questions about how to best match a mirror map to an environment's structure and characteristics.  ( 2 min )

The rapid proliferation of AI models has underscored the importance of thorough documentation, as it enables users to understand, trust, and effectively utilize these models in various applications. Although developers are encouraged to produce model cards, it's not clear how much information or what information these cards contain. In this study, we conduct a comprehensive analysis of 32,111 AI model documentations on Hugging Face, a leading platform for distributing and deploying AI models. Our investigation sheds light on the prevailing model card documentation practices. Most of the AI models with substantial downloads provide model cards, though the cards have uneven informativeness. We find that sections addressing environmental impact, limitations, and evaluation exhibit the lowest filled-out rates, while the training section is the most consistently filled-out. We analyze the content of each section to characterize practitioners' priorities. Interestingly, there are substantial discussions of data, sometimes with equal or even greater emphasis than the model itself. To evaluate the impact of model cards, we conducted an intervention study by adding detailed model cards to 42 popular models which had no or sparse model cards previously. We find that adding model cards is moderately correlated with an increase weekly download rates. Our study opens up a new perspective for analyzing community norms and practices for model documentation through large-scale data science and linguistics analysis.  ( 3 min )

Over the past several decades, conventional spectral analysis techniques of polluted white dwarfs have become powerful tools to learn about the geology and chemistry of extrasolar bodies. Despite their proven capabilities and extensive legacy of scientific discoveries, these techniques are however still limited by their manual, time-intensive, and iterative nature. As a result, they are susceptible to human errors and are difficult to scale up to population-wide studies of metal pollution. This paper seeks to address this problem by presenting cecilia, the first Machine Learning (ML)-powered spectral modeling code designed to measure the metal abundances of intermediate-temperature (10,000$\leq T_{\rm eff} \leq$20,000 K), Helium-rich polluted white dwarfs. Trained with more than 22,000 randomly drawn atmosphere models and stellar parameters, our pipeline aims to overcome the limitations of classical methods by replacing the generation of synthetic spectra from computationally expensive codes and uniformly spaced model grids, with a fast, automated, and efficient neural-network-based interpolator. More specifically, cecilia combines state-of-the-art atmosphere models, powerful artificial intelligence tools, and robust statistical techniques to rapidly generate synthetic spectra of polluted white dwarfs in high-dimensional space, and enable accurate ($\lesssim$0.1 dex) and simultaneous measurements of 14 stellar parameters -- including 11 elemental abundances -- from real spectroscopic observations. As massively multiplexed astronomical surveys begin scientific operations, cecilia's performance has the potential to unlock large-scale studies of extrasolar geochemistry and propel the field of white dwarf science into the era of Big Data. In doing so, we aspire to uncover new statistical insights that were previously impractical with traditional white dwarf characterisation techniques.  ( 3 min )

This research paper presents a unique Bengali OCR system with some capabilities. The system excels in reconstructing document layouts while preserving structure, alignment, and images. It incorporates advanced image and signature detection for accurate extraction. Specialized models for word segmentation cater to diverse document types, including computer-composed, letterpress, typewriter, and handwritten documents. The system handles static and dynamic handwritten inputs, recognizing various writing styles. Furthermore, it has the ability to recognize compound characters in Bengali. Extensive data collection efforts provide a diverse corpus, while advanced technical components optimize character and word recognition. Additional contributions include image, logo, signature and table recognition, perspective correction, layout reconstruction, and a queuing module for efficient and scalable processing. The system demonstrates outstanding performance in efficient and accurate text extraction and analysis.  ( 2 min )

Stochastic gradient descent (SGD) optimization methods such as the plain vanilla SGD method and the popular Adam optimizer are nowadays the method of choice in the training of artificial neural networks (ANNs). Despite the remarkable success of SGD methods in the ANN training in numerical simulations, it remains in essentially all practical relevant scenarios an open problem to rigorously explain why SGD methods seem to succeed to train ANNs. In particular, in most practically relevant supervised learning problems, it seems that SGD methods do with high probability not converge to global minimizers in the optimization landscape of the ANN training problem. Nevertheless, it remains an open problem of research to disprove the convergence of SGD methods to global minimizers. In this work we solve this research problem in the situation of shallow ANNs with the rectified linear unit (ReLU) and related activations with the standard mean square error loss by disproving in the training of such ANNs that SGD methods (such as the plain vanilla SGD, the momentum SGD, the AdaGrad, the RMSprop, and the Adam optimizers) can find a global minimizer with high probability. Even stronger, we reveal in the training of such ANNs that SGD methods do with high probability fail to converge to global minimizers in the optimization landscape. The findings of this work do, however, not disprove that SGD methods succeed to train ANNs since they do not exclude the possibility that SGD methods find good local minimizers whose risk values are close to the risk values of the global minimizers. In this context, another key contribution of this work is to establish the existence of a hierarchical structure of local minimizers with distinct risk values in the optimization landscape of ANN training problems with ReLU and related activations.  ( 3 min )

This paper formulates model selection as an infinite-armed bandit problem. The models are arms, and picking an arm corresponds to a partial training of the model (resource allocation). The reward is the accuracy of the selected model after its partial training. In this best arm identification problem, regret is the gap between the expected accuracy of the optimal model and that of the model finally chosen. We first consider a straightforward generalization of UCB-E to the stochastic infinite-armed bandit problem and show that, under basic assumptions, the expected regret order is $T^{-\alpha}$ for some $\alpha \in (0,1/5)$ and $T$ the number of resources to allocate. From this vanilla algorithm, we introduce the algorithm Mutant-UCB that incorporates operators from evolutionary algorithms. Tests carried out on three open source image classification data sets attest to the relevance of this novel combining approach, which outperforms the state-of-the-art for a fixed budget.  ( 2 min )

The main challenge with the tensor completion problem is a fundamental tension between computation power and the information-theoretic sample complexity rate. Past approaches either achieve the information-theoretic rate but lack practical algorithms to compute the corresponding solution, or have polynomial-time algorithms that require an exponentially-larger number of samples for low estimation error. This paper develops a novel tensor completion algorithm that resolves this tension by achieving both provable convergence (in numerical tolerance) in a linear number of oracle steps and the information-theoretic rate. Our approach formulates tensor completion as a convex optimization problem constrained using a gauge-based tensor norm, which is defined in a way that allows the use of integer linear optimization to solve linear separation problems over the unit-ball in this new norm. Adaptations based on this insight are incorporated into a Frank-Wolfe variant to build our algorithm. We show our algorithm scales-well using numerical experiments on tensors with up to ten million entries.  ( 2 min )

Reinforcement Learning from Human Feedback (RLHF) is the current dominating framework to fine-tune large language models to better align with human preferences. However, the underlying premise of algorithms developed under this framework can be problematic when user preferences encoded in human feedback are diverse. In this work, we aim to address this problem by developing methods for building personalized language models. We first formally introduce the task of learning from personalized human feedback and explain why vanilla RLHF can be problematic in this context. We then propose a general Personalized-RLHF (P-RLHF) framework, which requires one to jointly learn a user model and a language (or reward) model. The user model takes in user information and outputs user representations. Its structure encodes our assumptions about user preferences underlying the feedback data. We develop new learning objectives for personalized reward modeling and personalized Direct Preference Optimization. To demonstrate the efficacy of our method, we test it on real-world text summarization data with annotated preferences and annotator information. We fine-tune GPT-J 6B to obtain personalized language (and reward) models, which outperform non-personalized models in terms of aligning with individual preferences.  ( 2 min )

This paper presents the Learning the Universe Implicit Likelihood Inference (LtU-ILI) pipeline, a codebase for rapid, user-friendly, and cutting-edge machine learning (ML) inference in astrophysics and cosmology. The pipeline includes software for implementing various neural architectures, training schema, priors, and density estimators in a manner easily adaptable to any research workflow. It includes comprehensive validation metrics to assess posterior estimate coverage, enhancing the reliability of inferred results. Additionally, the pipeline is easily parallelizable, designed for efficient exploration of modeling hyperparameters. To demonstrate its capabilities, we present real applications across a range of astrophysics and cosmology problems, such as: estimating galaxy cluster masses from X-ray photometry; inferring cosmology from matter power spectra and halo point clouds; characterising progenitors in gravitational wave signals; capturing physical dust parameters from galaxy colors and luminosities; and establishing properties of semi-analytic models of galaxy formation. We also include exhaustive benchmarking and comparisons of all implemented methods as well as discussions about the challenges and pitfalls of ML inference in astronomical sciences. All code and examples are made publicly available at https://github.com/maho3/ltu-ili.  ( 3 min )

This paper introduces a novel paradigm for depression detection and treatment using advanced Large Language Models (LLMs): Generative Pre-trained Transformer 4 (GPT-4), Llama 2 chat, and Gemini. These LLMs are fine-tuned with specialized prompts to diagnose, explain, and suggest therapeutic interventions for depression. A unique few-shot prompting method enhances the models' ability to analyze and explain depressive symptoms based on the DSM-5 criteria. In the interaction phase, the models engage in empathetic dialogue management, drawing from resources like PsychDB and a Cognitive Behavioral Therapy (CBT) Guide, fostering supportive interactions with individuals experiencing major depressive disorders. Additionally, the research introduces the Illuminate Database, enriched with various CBT modules, aiding in personalized therapy recommendations. The study evaluates LLM performance using metrics such as F1 scores, Precision, Recall, Cosine similarity, and Recall-Oriented Understudy for Gisting Evaluation (ROUGE) across different test sets, demonstrating their effectiveness. This comprehensive approach blends cutting-edge AI with established psychological methods, offering new possibilities in mental health care and showcasing the potential of LLMs in revolutionizing depression diagnosis and treatment strategies.  ( 2 min )

With the abundance of data and information in todays time, it is nearly impossible for man, or, even machine, to go through all of the data line by line. What one usually does is to try to skim through the lines and retain the absolutely important information, that in a more formal term is called summarization. Text summarization is an important task that aims to compress lengthy documents or articles into shorter, coherent representations while preserving the core information and meaning. This project introduces an innovative approach to text summarization, leveraging the capabilities of Graph Neural Networks (GNNs) and Named Entity Recognition (NER) systems. GNNs, with their exceptional ability to capture and process the relational data inherent in textual information, are adept at understanding the complex structures within large documents. Meanwhile, NER systems contribute by identifying and emphasizing key entities, ensuring that the summarization process maintains a focus on the most critical aspects of the text. By integrating these two technologies, our method aims to enhances the efficiency of summarization and also tries to ensures a high degree relevance in the condensed content. This project, therefore, offers a promising direction for handling the ever increasing volume of textual data in an information-saturated world.  ( 2 min )

This early-stage research work aims to improve online human-robot imitation by translating sequences of joint positions from the domain of human motions to a domain of motions achievable by a given robot, thus constrained by its embodiment. Leveraging the generalization capabilities of deep learning methods, we address this problem by proposing an encoder-decoder neural network model performing domain-to-domain translation. In order to train such a model, one could use pairs of associated robot and human motions. Though, such paired data is extremely rare in practice, and tedious to collect. Therefore, we turn towards deep learning methods for unpaired domain-to-domain translation, that we adapt in order to perform human-robot imitation.  ( 2 min )

We find that, simply via a sampling-and-voting method, the performance of large language models (LLMs) scales with the number of agents instantiated. Also, this method is orthogonal to existing complicated methods to further enhance LLMs, while the degree of enhancement is correlated to the task difficulty. We conduct comprehensive experiments on a wide range of LLM benchmarks to verify the presence of our finding, and to study the properties that can facilitate its occurrence. Our code is publicly available at: \url{https://anonymous.4open.science/r/more_agent_is_all_you_need}.  ( 2 min )

Monitoring the status of large computing systems is essential to identify unexpected behavior and improve their performance and uptime. However, due to the large-scale and distributed design of such computing systems as well as a large number of monitoring parameters, automated monitoring methods should be applied. Such automatic monitoring methods should also have the ability to adapt themselves to the continuous changes in the computing system. In addition, they should be able to identify behavioral anomalies in useful time, to perform appropriate reactions. This work proposes a general lightweight and unsupervised method for near real-time anomaly detection using operational data measurement on large computing systems. The proposed model requires as little as 4 hours of data and 50 epochs for each training process to accurately resemble the behavioral pattern of computing systems.  ( 2 min )

In recent times, significant advancements have been made in the field of large language models (LLMs), represented by GPT series models. To optimize task execution, users often engage in multi-round conversations with GPT models hosted in cloud environments. These multi-round conversations, potentially replete with private information, require transmission and storage within the cloud. However, this operational paradigm introduces additional attack surfaces. In this paper, we first introduce a specific Conversation Reconstruction Attack targeting GPT models. Our introduced Conversation Reconstruction Attack is composed of two steps: hijacking a session and reconstructing the conversations. Subsequently, we offer an exhaustive evaluation of the privacy risks inherent in conversations when GPT models are subjected to the proposed attack. However, GPT-4 demonstrates certain robustness to the proposed attacks. We then introduce two advanced attacks aimed at better reconstructing previous conversations, specifically the UNR attack and the PBU attack. Our experimental findings indicate that the PBU attack yields substantial performance across all models, achieving semantic similarity scores exceeding 0.60, while the UNR attack is effective solely on GPT-3.5. Our results reveal the concern about privacy risks associated with conversations involving GPT models and aim to draw the community's attention to prevent the potential misuse of these models' remarkable capabilities. We will responsibly disclose our findings to the suppliers of related large language models.  ( 2 min )

Fourier analysis has been an instrumental tool in the development of signal processing. This leads us to wonder whether this framework could similarly benefit generative modelling. In this paper, we explore this question through the scope of time series diffusion models. More specifically, we analyze whether representing time series in the frequency domain is a useful inductive bias for score-based diffusion models. By starting from the canonical SDE formulation of diffusion in the time domain, we show that a dual diffusion process occurs in the frequency domain with an important nuance: Brownian motions are replaced by what we call mirrored Brownian motions, characterized by mirror symmetries among their components. Building on this insight, we show how to adapt the denoising score matching approach to implement diffusion models in the frequency domain. This results in frequency diffusion models, which we compare to canonical time diffusion models. Our empirical evaluation on real-world datasets, covering various domains like healthcare and finance, shows that frequency diffusion models better capture the training distribution than time diffusion models. We explain this observation by showing that time series from these datasets tend to be more localized in the frequency domain than in the time domain, which makes them easier to model in the former case. All our observations point towards impactful synergies between Fourier analysis and diffusion models.  ( 2 min )

Graph neural networks (GNNs) are the dominant paradigm for classifying nodes in a graph, but they have several undesirable attributes stemming from their message passing architecture. Recently, distillation methods succeeded in eliminating the use of GNNs at test time but they still require them during training. We perform a careful analysis of the role that GNNs play in distillation methods. This analysis leads us to propose a fully GNN-free approach for node classification, not requiring them at train or test time. Our method consists of three key components: smoothness constraints, pseudo-labeling iterations and neighborhood-label histograms. Our final approach can match the state-of-the-art accuracy on standard popular benchmarks such as citation and co-purchase networks, without training a GNN.  ( 2 min )

In this work, we study statistical learning with dependent ($\beta$-mixing) data and square loss in a hypothesis class $\mathscr{F}\subset L_{\Psi_p}$ where $\Psi_p$ is the norm $\|f\|_{\Psi_p} \triangleq \sup_{m\geq 1} m^{-1/p} \|f\|_{L^m} $ for some $p\in [2,\infty]$. Our inquiry is motivated by the search for a sharp noise interaction term, or variance proxy, in learning with dependent data. Absent any realizability assumption, typical non-asymptotic results exhibit variance proxies that are deflated \emph{multiplicatively} by the mixing time of the underlying covariates process. We show that whenever the topologies of $L^2$ and $\Psi_p$ are comparable on our hypothesis class $\mathscr{F}$ -- that is, $\mathscr{F}$ is a weakly sub-Gaussian class: $\|f\|_{\Psi_p} \lesssim \|f\|_{L^2}^\eta$ for some $\eta\in (0,1]$ -- the empirical risk minimizer achieves a rate that only depends on the complexity of the class and second order statistics in its leading term. Our result holds whether the problem is realizable or not and we refer to this as a \emph{near mixing-free rate}, since direct dependence on mixing is relegated to an additive higher order term. We arrive at our result by combining the above notion of a weakly sub-Gaussian class with mixed tail generic chaining. This combination allows us to compute sharp, instance-optimal rates for a wide range of problems. %Our approach, reliant on mixed tail generic chaining, allows us to obtain sharp, instance-optimal rates. Examples that satisfy our framework include sub-Gaussian linear regression, more general smoothly parameterized function classes, finite hypothesis classes, and bounded smoothness classes.  ( 3 min )

The confluence of Federated Learning (FL) and Large Language Models (LLMs) is ushering in a new era in privacy-preserving natural language processing. However, the intensive memory requirements for fine-tuning LLMs pose significant challenges, especially when deploying on edge devices with limited computational resources. To circumvent this, we explore the novel integration of Memory-efficient Zeroth-Order Optimization within a federated setting, a synergy we denote as FedMeZO. Our study is the first to examine the theoretical underpinnings of FedMeZO in the context of LLMs, tackling key questions regarding the influence of large parameter spaces on optimization behavior, the establishment of convergence properties, and the identification of critical parameters for convergence to inform personalized federated strategies. Our extensive empirical evidence supports the theory, showing that FedMeZO not only converges faster than traditional first-order methods such as SGD but also significantly reduces GPU memory usage during training to levels comparable to those during inference. Moreover, the proposed personalized FL strategy that is built upon the theoretical insights to customize the client-wise learning rate can effectively accelerate loss reduction. We hope our work can help to bridge theoretical and practical aspects of federated fine-tuning for LLMs and facilitate further development and research.  ( 2 min )

Classical multi-agent reinforcement learning (MARL) assumes risk neutrality and complete objectivity for agents. However, in settings where agents need to consider or model human economic or social preferences, a notion of risk must be incorporated into the RL optimization problem. This will be of greater importance in MARL where other human or non-human agents are involved, possibly with their own risk-sensitive policies. In this work, we consider risk-sensitive and non-cooperative MARL with cumulative prospect theory (CPT), a non-convex risk measure and a generalization of coherent measures of risk. CPT is capable of explaining loss aversion in humans and their tendency to overestimate/underestimate small/large probabilities. We propose a distributed sampling-based actor-critic (AC) algorithm with CPT risk for network aggregative Markov games (NAMGs), which we call Distributed Nested CPT-AC. Under a set of assumptions, we prove the convergence of the algorithm to a subjective notion of Markov perfect Nash equilibrium in NAMGs. The experimental results show that subjective CPT policies obtained by our algorithm can be different from the risk-neutral ones, and agents with a higher loss aversion are more inclined to socially isolate themselves in an NAMG.  ( 2 min )

We present GenEFT: an effective theory framework for shedding light on the statics and dynamics of neural network generalization, and illustrate it with graph learning examples. We first investigate the generalization phase transition as data size increases, comparing experimental results with information-theory-based approximations. We find generalization in a Goldilocks zone where the decoder is neither too weak nor too powerful. We then introduce an effective theory for the dynamics of representation learning, where latent-space representations are modeled as interacting particles (repons), and find that it explains our experimentally observed phase transition between generalization and overfitting as encoder and decoder learning rates are scanned. This highlights the power of physics-inspired effective theories for bridging the gap between theoretical predictions and practice in machine learning.  ( 2 min )

The need to identify graphs having small structural distance from a query arises in biology, chemistry, recommender systems, and social network analysis. Among several methods to measure inter graph distance, Graph Edit Distance (GED) is preferred for its comprehensibility, yet hindered by the NP-hardness of its computation. State-of-the-art GED approximations predominantly employ neural methods, which, however, (i) lack an explanatory edit path corresponding to the approximated GED; (ii) require the NP-hard generation of ground-truth GEDs for training; and (iii) necessitate separate training on each dataset. In this paper, we propose an efficient algebraic unsuper vised method, EUGENE, that approximates GED and yields edit paths corresponding to the approx imated cost, while eliminating the need for ground truth generation and data-specific training. Extensive experimental evaluation demonstrates that the aforementioned benefits of EUGENE do not come at the cost of efficacy. Specifically, EUGENE consistently ranks among the most accurate methods across all of the benchmark datasets and outperforms majority of the neural approaches.  ( 2 min )

Offline reinforcement learning (RL), which seeks to learn an optimal policy using offline data, has garnered significant interest due to its potential in critical applications where online data collection is infeasible or expensive. This work explores the benefit of federated learning for offline RL, aiming at collaboratively leveraging offline datasets at multiple agents. Focusing on finite-horizon episodic tabular Markov decision processes (MDPs), we design FedLCB-Q, a variant of the popular model-free Q-learning algorithm tailored for federated offline RL. FedLCB-Q updates local Q-functions at agents with novel learning rate schedules and aggregates them at a central server using importance averaging and a carefully designed pessimistic penalty term. Our sample complexity analysis reveals that, with appropriately chosen parameters and synchronization schedules, FedLCB-Q achieves linear speedup in terms of the number of agents without requiring high-quality datasets at individual agents, as long as the local datasets collectively cover the state-action space visited by the optimal policy, highlighting the power of collaboration in the federated setting. In fact, the sample complexity almost matches that of the single-agent counterpart, as if all the data are stored at a central location, up to polynomial factors of the horizon length. Furthermore, FedLCB-Q is communication-efficient, where the number of communication rounds is only linear with respect to the horizon length up to logarithmic factors.  ( 2 min )

Recently, there has been a widespread proliferation of "expert" language models that are specialized to a specific task or domain through parameter-efficient fine-tuning. How can we recycle large collections of expert language models to improve zero-shot generalization to unseen tasks? In this work, we propose Post-Hoc Adaptive Tokenwise Gating Over an Ocean of Specialized Experts (PHATGOOSE), which learns to route among specialized modules that were produced through parameter-efficient fine-tuning. Unlike past methods that learn to route among specialized models, PHATGOOSE explores the possibility that zero-shot generalization will be improved if different experts can be adaptively chosen for each token and at each layer in the model. Crucially, our method is post-hoc - it does not require simultaneous access to the datasets used to create the specialized models and only requires a modest amount of additional compute after each expert model is trained. In experiments covering a range of specialized model collections and zero-shot generalization benchmarks, we find that PHATGOOSE outperforms past methods for post-hoc routing and, in some cases, outperforms explicit multitask training (which requires simultaneous data access). To better understand the routing strategy learned by PHATGOOSE, we perform qualitative experiments to validate that PHATGOOSE's performance stems from its ability to make adaptive per-token and per-module expert choices. We release all of our code to support future work on improving zero-shot generalization by recycling specialized experts.  ( 2 min )

How can we best encode structured data into sequential form for use in large language models (LLMs)? In this work, we introduce a parameter-efficient method to explicitly represent structured data for LLMs. Our method, GraphToken, learns an encoding function to extend prompts with explicit structured information. Unlike other work which focuses on limited domains (e.g. knowledge graph representation), our work is the first effort focused on the general encoding of structured data to be used for various reasoning tasks. We show that explicitly representing the graph structure allows significant improvements to graph reasoning tasks. Specifically, we see across the board improvements - up to 73% points - on node, edge and, graph-level tasks from the GraphQA benchmark.  ( 2 min )

It might seem counter-intuitive at first: We find that, in expectation, the proportion of data points in an unknown population-that belong to classes that do not appear in the training data-is almost entirely determined by the number $f_k$ of classes that do appear in the training data the same number of times. While in theory we show that the difference of the induced estimator decays exponentially in the size of the sample, in practice the high variance prevents us from using it directly for an estimator of the sample coverage. However, our precise characterization of the dependency between $f_k$'s induces a large search space of different representations of the expected value, which can be deterministically instantiated as estimators. Hence, we turn to optimization and develop a genetic algorithm that, given only the sample, searches for an estimator with minimal mean-squared error (MSE). In our experiments, our genetic algorithm discovers estimators that have a substantially smaller MSE than the state-of-the-art Good-Turing estimator. This holds for over 96% of runs when there are at least as many samples as classes. Our estimators' MSE is roughly 80% of the Good-Turing estimator's.  ( 2 min )

Time series analysis is vital for numerous applications, and transformers have become increasingly prominent in this domain. Leading methods customize the transformer architecture from NLP and CV, utilizing a patching technique to convert continuous signals into segments. Yet, time series data are uniquely challenging due to significant distribution shifts and intrinsic noise levels. To address these two challenges,we introduce the Sparse Vector Quantized FFN-Free Transformer (Sparse-VQ). Our methodology capitalizes on a sparse vector quantization technique coupled with Reverse Instance Normalization (RevIN) to reduce noise impact and capture sufficient statistics for forecasting, serving as an alternative to the Feed-Forward layer (FFN) in the transformer architecture. Our FFN-free approach trims the parameter count, enhancing computational efficiency and reducing overfitting. Through evaluations across ten benchmark datasets, including the newly introduced CAISO dataset, Sparse-VQ surpasses leading models with a 7.84% and 4.17% decrease in MAE for univariate and multivariate time series forecasting, respectively. Moreover, it can be seamlessly integrated with existing transformer-based models to elevate their performance.  ( 2 min )

Accurate solar power forecasting is crucial to integrate photovoltaic plants into the electric grid, schedule and secure the power grid safety. This problem becomes more demanding for those newly installed solar plants which lack sufficient data. Current research predominantly relies on historical solar power data or numerical weather prediction in a single-modality format, ignoring the complementary information provided in different modalities. In this paper, we propose a multi-modality fusion framework to integrate historical power data, numerical weather prediction, and satellite images, significantly improving forecast performance. We introduce a vector quantized framework that aligns modalities with varying information densities, striking a balance between integrating sufficient information and averting model overfitting. Our framework demonstrates strong zero-shot forecasting capability, which is especially useful for those newly installed plants. Moreover, we collect and release a multi-modal solar power (MMSP) dataset from real-world plants to further promote the research of multi-modal solar forecasting algorithms. Our extensive experiments show that our model not only operates with robustness but also boosts accuracy in both zero-shot forecasting and scenarios rich with training data, surpassing leading models. We have incorporated it into our eForecaster platform and deployed it for more than 300 solar plants with a capacity of over 15GW.  ( 3 min )

Recent advancements in meta-learning have enabled the automatic discovery of novel reinforcement learning algorithms parameterized by surrogate objective functions. To improve upon manually designed algorithms, the parameterization of this learned objective function must be expressive enough to represent novel principles of learning (instead of merely recovering already established ones) while still generalizing to a wide range of settings outside of its meta-training distribution. However, existing methods focus on discovering objective functions that, like many widely used objective functions in reinforcement learning, do not take into account the total number of steps allowed for training, or "training horizon". In contrast, humans use a plethora of different learning objectives across the course of acquiring a new ability. For instance, students may alter their studying techniques based on the proximity to exam deadlines and their self-assessed capabilities. This paper contends that ignoring the optimization time horizon significantly restricts the expressive potential of discovered learning algorithms. We propose a simple augmentation to two existing objective discovery approaches that allows the discovered algorithm to dynamically update its objective function throughout the agent's training procedure, resulting in expressive schedules and increased generalization across different training horizons. In the process, we find that commonly used meta-gradient approaches fail to discover such adaptive objective functions while evolution strategies discover highly dynamic learning rules. We demonstrate the effectiveness of our approach on a wide range of tasks and analyze the resulting learned algorithms, which we find effectively balance exploration and exploitation by modifying the structure of their learning rules throughout the agent's lifetime.  ( 3 min )

How to automatically design better machine learning programs is an open problem within AutoML. While evolution has been a popular tool to search for better ML programs, using learning itself to guide the search has been less successful and less understood on harder problems but has the promise to dramatically increase the speed and final performance of the optimization process. We propose guiding evolution with a binary discriminator, trained online to distinguish which program is better given a pair of programs. The discriminator selects better programs without having to perform a costly evaluation and thus speed up the convergence of evolution. Our method can encode a wide variety of ML components including symbolic optimizers, neural architectures, RL loss functions, and symbolic regression equations with the same directed acyclic graph representation. By combining this representation with modern GNNs and an adaptive mutation strategy, we demonstrate our method can speed up evolution across a set of diverse problems including a 3.7x speedup on the symbolic search for ML optimizers and a 4x speedup for RL loss functions.  ( 2 min )

In many classification applications, the prediction of a deep neural network (DNN) based classifier needs to be accompanied with some confidence indication. Two popular post-processing approaches for that aim are: 1) calibration: modifying the classifier's softmax values such that their maximum (associated with the prediction) better estimates the correctness probability; and 2) conformal prediction (CP): devising a score (based on the softmax values) from which a set of predictions with theoretically guaranteed marginal coverage of the correct class is produced. While in practice both types of indications can be desired, so far the interplay between them has not been investigated. Toward filling this gap, in this paper we study the effect of temperature scaling, arguably the most common calibration technique, on prominent CP methods. We start with an extensive empirical study that among other insights shows that, surprisingly, calibration has a detrimental effect on popular adaptive CP methods: it frequently leads to larger prediction sets. Then, we turn to theoretically analyze this behavior. We reveal several mathematical properties of the procedure, according to which we provide a reasoning for the phenomenon. Our study suggests that it may be worthwhile to utilize adaptive CP methods, chosen for their enhanced conditional coverage, based on softmax values prior to (or after canceling) temperature scaling calibration.  ( 2 min )

We analyze the capabilities of Transformer language models on learning discrete algorithms. To this end, we introduce two new tasks demanding the composition of several discrete sub-tasks. On both training LLaMA models from scratch and prompting on GPT-4 and Gemini we measure learning compositions of learned primitives. We observe that the compositional capabilities of state-of-the-art Transformer language models are very limited and sample-wise scale worse than relearning all sub-tasks for a new algorithmic composition. We also present a theorem in complexity theory, showing that gradient descent on memorizing feedforward models can be exponentially data inefficient.  ( 2 min )

Insufficiently precise diagnosis of clinical disease is likely responsible for many treatment failures, even for common conditions and treatments. With a large enough dataset, it may be possible to use unsupervised machine learning to define clinical disease patterns more precisely. We present an approach to learning these patterns by using probabilistic independence to disentangle the imprint on the medical record of causal latent sources of disease. We inferred a broad set of 2000 clinical signatures of latent sources from 9195 variables in 269,099 Electronic Health Records. The learned signatures produced better discrimination than the original variables in a lung cancer prediction task unknown to the inference algorithm, predicting 3-year malignancy in patients with no history of cancer before a solitary lung nodule was discovered. More importantly, the signatures' greater explanatory power identified pre-nodule signatures of apparently undiagnosed cancer in many of those patients.  ( 2 min )

Learning in general-sum games often yields collectively sub-optimal results. Addressing this, opponent shaping (OS) methods actively guide the learning processes of other agents, empirically leading to improved individual and group performances in many settings. Early OS methods use higher-order derivatives to shape the learning of co-players, making them unsuitable for shaping multiple learning steps. Follow-up work, Model-free Opponent Shaping (M-FOS), addresses these by reframing the OS problem as a meta-game. In contrast to early OS methods, there is little theoretical understanding of the M-FOS framework. Providing theoretical guarantees for M-FOS is hard because A) there is little literature on theoretical sample complexity bounds for meta-reinforcement learning B) M-FOS operates in continuous state and action spaces, so theoretical analysis is challenging. In this work, we present R-FOS, a tabular version of M-FOS that is more suitable for theoretical analysis. R-FOS discretises the continuous meta-game MDP into a tabular MDP. Within this discretised MDP, we adapt the $R_{max}$ algorithm, most prominently used to derive PAC-bounds for MDPs, as the meta-learner in the R-FOS algorithm. We derive a sample complexity bound that is exponential in the cardinality of the inner state and action space and the number of agents. Our bound guarantees that, with high probability, the final policy learned by an R-FOS agent is close to the optimal policy, apart from a constant factor. Finally, we investigate how R-FOS's sample complexity scales in the size of state-action space. Our theoretical results on scaling are supported empirically in the Matching Pennies environment.  ( 3 min )

In contexts where data samples represent a physically stable state, it is often assumed that the data points represent the local minima of an energy landscape. In control theory, it is well-known that energy can serve as an effective Lyapunov function. Despite this, connections between control theory and generative models in the literature are sparse, even though there are several machine learning applications with physically stable data points. In this paper, we focus on such data and a recent class of deep generative models called flow matching. We apply tools of stochastic stability for time-independent systems to flow matching models. In doing so, we characterize the space of flow matching models that are amenable to this treatment, as well as draw connections to other control theory principles. We demonstrate our theoretical results on two examples.  ( 2 min )

Longitudinal data are important in numerous fields, such as healthcare, sociology and seismology, but real-world datasets present notable challenges for practitioners because they can be high-dimensional, contain structured missingness patterns, and measurement time points can be governed by an unknown stochastic process. While various solutions have been suggested, the majority of them have been designed to account for only one of these challenges. In this work, we propose a flexible and efficient latent-variable model that is capable of addressing all these limitations. Our approach utilizes Gaussian processes to capture temporal correlations between samples and their associated missingness masks as well as to model the underlying point process. We construct our model as a variational autoencoder together with deep neural network parameterised encoder and decoder models, and develop a scalable amortised variational inference approach for efficient model training. We demonstrate competitive performance using both simulated and real datasets.  ( 2 min )

We introduce off-policy distributional Q($\lambda$), a new addition to the family of off-policy distributional evaluation algorithms. Off-policy distributional Q($\lambda$) does not apply importance sampling for off-policy learning, which introduces intriguing interactions with signed measures. Such unique properties distributional Q($\lambda$) from other existing alternatives such as distributional Retrace. We characterize the algorithmic properties of distributional Q($\lambda$) and validate theoretical insights with tabular experiments. We show how distributional Q($\lambda$)-C51, a combination of Q($\lambda$) with the C51 agent, exhibits promising results on deep RL benchmarks.  ( 2 min )

Offline preference optimization allows fine-tuning large models directly from offline data, and has proved effective in recent alignment practices. We propose generalized preference optimization (GPO), a family of offline losses parameterized by a general class of convex functions. GPO enables a unified view over preference optimization, encompassing existing algorithms such as DPO, IPO and SLiC as special cases, while naturally introducing new variants. The GPO framework also sheds light on how offline algorithms enforce regularization, through the design of the convex function that defines the loss. Our analysis and experiments reveal the connections and subtle differences between the offline regularization and the KL divergence regularization intended by the canonical RLHF formulation. In all, our results present new algorithmic toolkits and empirical insights to alignment practitioners.  ( 2 min )

Self-attention, the core mechanism of transformers, distinguishes them from traditional neural networks and drives their outstanding performance. Towards developing the fundamental optimization principles of self-attention, we investigate the implicit bias of gradient descent (GD) in training a self-attention layer with fixed linear decoder in binary classification. Drawing inspiration from the study of GD in linear logistic regression over separable data, recent work demonstrates that as the number of iterations $t$ approaches infinity, the key-query matrix $W_t$ converges locally (with respect to the initialization direction) to a hard-margin SVM solution $W_{mm}$. Our work enhances this result in four aspects. Firstly, we identify non-trivial data settings for which convergence is provably global, thus shedding light on the optimization landscape. Secondly, we provide the first finite-time convergence rate for $W_t$ to $W_{mm}$, along with quantifying the rate of sparsification in the attention map. Thirdly, through an analysis of normalized GD and Polyak step-size, we demonstrate analytically that adaptive step-size rules can accelerate the convergence of self-attention. Additionally, we remove the restriction of prior work on a fixed linear decoder. Our results reinforce the implicit-bias perspective of self-attention and strengthen its connections to implicit-bias in linear logistic regression, despite the intricate non-convex nature of the former.  ( 2 min )

Despite significant investment into safety training, large language models (LLMs) deployed in the real world still suffer from numerous vulnerabilities. One perspective on LLM safety training is that it algorithmically forbids the model from answering toxic or harmful queries. To assess the effectiveness of safety training, in this work, we study forbidden tasks, i.e., tasks the model is designed to refuse to answer. Specifically, we investigate whether in-context learning (ICL) can be used to re-learn forbidden tasks despite the explicit fine-tuning of the model to refuse them. We first examine a toy example of refusing sentiment classification to demonstrate the problem. Then, we use ICL on a model fine-tuned to refuse to summarise made-up news articles. Finally, we investigate whether ICL can undo safety training, which could represent a major security risk. For the safety task, we look at Vicuna-7B, Starling-7B, and Llama2-7B. We show that the attack works out-of-the-box on Starling-7B and Vicuna-7B but fails on Llama2-7B. Finally, we propose an ICL attack that uses the chat template tokens like a prompt injection attack to achieve a better attack success rate on Vicuna-7B and Starling-7B. Trigger Warning: the appendix contains LLM-generated text with violence, suicide, and misinformation.  ( 2 min )

We study the sample complexity of reinforcement learning (RL) in Mean-Field Games (MFGs) with model-based function approximation that requires strategic exploration to find a Nash Equilibrium policy. We introduce the Partial Model-Based Eluder Dimension (P-MBED), a more effective notion to characterize the model class complexity. Notably, P-MBED measures the complexity of the single-agent model class converted from the given mean-field model class, and potentially, can be exponentially lower than the MBED proposed by \citet{huang2023statistical}. We contribute a model elimination algorithm featuring a novel exploration strategy and establish sample complexity results polynomial w.r.t.~P-MBED. Crucially, our results reveal that, under the basic realizability and Lipschitz continuity assumptions, \emph{learning Nash Equilibrium in MFGs is no more statistically challenging than solving a logarithmic number of single-agent RL problems}. We further extend our results to Multi-Type MFGs, generalizing from conventional MFGs and involving multiple types of agents. This extension implies statistical tractability of a broader class of Markov Games through the efficacy of mean-field approximation. Finally, inspired by our theoretical algorithm, we present a heuristic approach with improved computational efficiency and empirically demonstrate its effectiveness.  ( 2 min )

The proliferation of artificial intelligence (AI) in radiology has shed light on the risk of deep learning (DL) models exacerbating clinical biases towards vulnerable patient populations. While prior literature has focused on quantifying biases exhibited by trained DL models, demographically targeted adversarial bias attacks on DL models and its implication in the clinical environment remains an underexplored field of research in medical imaging. In this work, we demonstrate that demographically targeted label poisoning attacks can introduce adversarial underdiagnosis bias in DL models and degrade performance on underrepresented groups without impacting overall model performance. Moreover, our results across multiple performance metrics and demographic groups like sex, age, and their intersectional subgroups indicate that a group's vulnerability to undetectable adversarial bias attacks is directly correlated with its representation in the model's training data.  ( 2 min )

We consider the infinite-horizon, average-reward restless bandit problem in discrete time. We propose a new class of policies that are designed to drive a progressively larger subset of arms toward the optimal distribution. We show that our policies are asymptotically optimal with an $O(1/\sqrt{N})$ optimality gap for an $N$-armed problem, provided that the single-armed relaxed problem is unichain and aperiodic. Our approach departs from most existing work that focuses on index or priority policies, which rely on the Uniform Global Attractor Property (UGAP) to guarantee convergence to the optimum, or a recently developed simulation-based policy, which requires a Synchronization Assumption (SA).  ( 2 min )

Dataset Condensation (DC) refers to the recent class of dataset compression methods that generate a smaller, synthetic, dataset from a larger dataset. This synthetic dataset retains the essential information of the original dataset, enabling models trained on it to achieve performance levels comparable to those trained on the full dataset. Most current DC methods have mainly concerned with achieving high test performance with limited data budget, and have not directly addressed the question of adversarial robustness. In this work, we investigate the impact of adversarial robustness on models trained with compressed datasets. We show that the compressed datasets obtained from DC methods are not effective in transferring adversarial robustness to models. As a solution to improve dataset compression efficiency and adversarial robustness simultaneously, we propose a novel robustness-aware dataset compression method based on finding the Minimal Finite Covering (MFC) of the dataset. The proposed method is (1) obtained by one-time computation and is applicable for any model, (2) more effective than DC methods when applying adversarial training over MFC, (3) provably robust by minimizing the generalized adversarial loss. Additionally, empirical evaluation on three datasets shows that the proposed method is able to achieve better robustness and performance trade-off compared to DC methods such as distribution matching.  ( 2 min )

We introduce a method for computing immediately human interpretable yet accurate classifiers from tabular data. The classifiers obtained are short DNF-formulas, computed via first discretizing the original data to Boolean form and then using feature selection coupled with a very fast algorithm for producing the best possible Boolean classifier for the setting. We demonstrate the approach via 14 experiments, obtaining results with accuracies mainly similar to ones obtained via random forests, XGBoost, and existing results for the same datasets in the literature. In several cases, our approach in fact outperforms the reference results in relation to accuracy, even though the main objective of our study is the immediate interpretability of our classifiers. We also prove a new result on the probability that the classifier we obtain from real-life data corresponds to the ideally best classifier with respect to the background distribution the data comes from.  ( 2 min )

The analysis of scientific data and complex multivariate systems requires information quantities that capture relationships among multiple random variables. Recently, new information-theoretic measures have been developed to overcome the shortcomings of classical ones, such as mutual information, that are restricted to considering pairwise interactions. Among them, the concept of information synergy and redundancy is crucial for understanding the high-order dependencies between variables. One of the most prominent and versatile measures based on this concept is O-information, which provides a clear and scalable way to quantify the synergy-redundancy balance in multivariate systems. However, its practical application is limited to simplified cases. In this work, we introduce S$\Omega$I, which allows for the first time to compute O-information without restrictive assumptions about the system. Our experiments validate our approach on synthetic data, and demonstrate the effectiveness of S$\Omega$I in the context of a real-world use case.  ( 2 min )

Accurate real-time traffic state forecasting plays a pivotal role in traffic control research. In particular, the CIRCLES consortium project necessitates predictive techniques to mitigate the impact of data source delays. After the success of the MegaVanderTest experiment, this paper aims at overcoming the current system limitations and develop a more suited approach to improve the real-time traffic state estimation for the next iterations of the experiment. In this paper, we introduce the SA-LSTM, a deep forecasting method integrating Self-Attention (SA) on the spatial dimension with Long Short-Term Memory (LSTM) yielding state-of-the-art results in real-time mesoscale traffic forecasting. We extend this approach to multi-step forecasting with the n-step SA-LSTM, which outperforms traditional multi-step forecasting methods in the trade-off between short-term and long-term predictions, all while operating in real-time.  ( 2 min )

Motivated by the success of Transformers when applied to sequences of discrete symbols, token-based world models (TBWMs) were recently proposed as sample-efficient methods. In TBWMs, the world model consumes agent experience as a language-like sequence of tokens, where each observation constitutes a sub-sequence. However, during imagination, the sequential token-by-token generation of next observations results in a severe bottleneck, leading to long training times, poor GPU utilization, and limited representations. To resolve this bottleneck, we devise a novel Parallel Observation Prediction (POP) mechanism. POP augments a Retentive Network (RetNet) with a novel forward mode tailored to our reinforcement learning setting. We incorporate POP in a novel TBWM agent named REM (Retentive Environment Model), showcasing a 15.4x faster imagination compared to prior TBWMs. REM attains superhuman performance on 12 out of 26 games of the Atari 100K benchmark, while training in less than 12 hours. Our code is available at \url{https://github.com/leor-c/REM}.  ( 2 min )

Unsupervised Graph Domain Adaptation (UGDA) aims to transfer knowledge from a labelled source graph to an unlabelled target graph in order to address the distribution shifts between graph domains. Previous works have primarily focused on aligning data from the source and target graph in the representation space learned by graph neural networks (GNNs). However, the inherent generalization capability of GNNs has been largely overlooked. Motivated by our empirical analysis, we reevaluate the role of GNNs in graph domain adaptation and uncover the pivotal role of the propagation process in GNNs for adapting to different graph domains. We provide a comprehensive theoretical analysis of UGDA and derive a generalization bound for multi-layer GNNs. By formulating GNN Lipschitz for k-layer GNNs, we show that the target risk bound can be tighter by removing propagation layers in source graph and stacking multiple propagation layers in target graph. Based on the empirical and theoretical analysis mentioned above, we propose a simple yet effective approach called A2GNN for graph domain adaptation. Through extensive experiments on real-world datasets, we demonstrate the effectiveness of our proposed A2GNN framework.  ( 2 min )

Large transformer models have demonstrated remarkable success. Post-training quantization (PTQ), which requires only a small dataset for calibration and avoids end-to-end retraining, is a promising solution for compressing these large models. Regrettably, existing PTQ methods typically exhibit non-trivial performance loss. We find that the performance bottleneck stems from over-consideration of hardware compatibility in the quantization process, compelling them to reluctantly employ simple quantizers, albeit at the expense of accuracy. With the above insights, we propose RepQuant, a novel PTQ framework with quantization-inference decoupling paradigm to address the above issues. RepQuant employs complex quantizers in the quantization process and simplified quantizers in the inference process, and performs mathematically equivalent transformations between the two through quantization scale reparameterization, thus ensuring both accurate quantization and efficient inference. More specifically, we focus on two components with extreme distributions: LayerNorm activations and Softmax activations. Initially, we apply channel-wise quantization and log$\sqrt{2}$ quantization, respectively, which are tailored to their distributions. In particular, for the former, we introduce a learnable per-channel dual clipping scheme, which is designed to efficiently identify outliers in the unbalanced activations with fine granularity. Then, we reparameterize the scales to hardware-friendly layer-wise quantization and log2 quantization for inference. Moreover, quantized weight reconstruction is seamlessly integrated into the above procedure to further push the performance limits. Extensive experiments are performed on different large-scale transformer variants on multiple tasks, including vision, language, and multi-modal transformers, and RepQuant encouragingly demonstrates significant performance advantages.  ( 3 min )

In human cognition, the binding problem describes the open question of how the brain flexibly integrates diverse information into cohesive object representations. Analogously, in machine learning, there is a pursuit for models capable of strong generalization and reasoning by learning object-centric representations in an unsupervised manner. Drawing from neuroscientific theories, Rotating Features learn such representations by introducing vector-valued features that encapsulate object characteristics in their magnitudes and object affiliation in their orientations. The "$\chi$-binding" mechanism, embedded in every layer of the architecture, has been shown to be crucial, but remains poorly understood. In this paper, we propose an alternative "cosine binding" mechanism, which explicitly computes the alignment between features and adjusts weights accordingly, and we show that it achieves equivalent performance. This allows us to draw direct connections to self-attention and biological neural processes, and to shed light on the fundamental dynamics for object-centric representations to emerge in Rotating Features.  ( 2 min )

Many of the foundations of machine learning rely on the idealized premise that all input and output spaces are infinite, e.g.~$\mathbb{R}^d$. This core assumption is systematically violated in practice due to digital computing limitations from finite machine precision, rounding, and limited RAM. In short, digital computers operate on finite grids in $\mathbb{R}^d$. By exploiting these discrete structures, we show the curse of dimensionality in statistical learning is systematically broken when models are implemented on real computers. Consequentially, we obtain new generalization bounds with dimension-free rates for kernel and deep ReLU MLP regressors, which are implemented on real-world machines. Our results are derived using a new non-asymptotic concentration of measure result between a probability measure over any finite metric space and its empirical version associated with $N$ i.i.d. samples when measured in the $1$-Wasserstein distance. Unlike standard concentration of measure results, the concentration rates in our bounds do not hold uniformly for all sample sizes $N$; instead, our rates can adapt to any given $N$. This yields significantly tighter bounds for realistic sample sizes while achieving the optimal worst-case rate of $\mathcal{O}(1/N^{1/2})$ for massive. Our results are built on new techniques combining metric embedding theory with optimal transport  ( 2 min )

In this paper, we investigate the loss landscape of one-hidden-layer neural networks with ReLU-like activation functions trained with the empirical squared loss. As the activation function is non-differentiable, it is so far unclear how to completely characterize the stationary points. We propose the conditions for stationarity that apply to both non-differentiable and differentiable cases. Additionally, we show that, if a stationary point does not contain "escape neurons", which are defined with first-order conditions, then it must be a local minimum. Moreover, for the scalar-output case, the presence of an escape neuron guarantees that the stationary point is not a local minimum. Our results refine the description of the saddle-to-saddle training process starting from infinitesimally small (vanishing) initialization for shallow ReLU-like networks, linking saddle escaping directly with the parameter changes of escape neurons. Moreover, we are also able to fully discuss how network embedding, which is to instantiate a narrower network within a wider network, reshapes the stationary points.  ( 2 min )

Existing approaches to fairness in stochastic multi-armed bandits (MAB) primarily focus on exposure guarantee to individual arms. When arms are naturally grouped by certain attribute(s), we propose Bi-Level Fairness, which considers two levels of fairness. At the first level, Bi-Level Fairness guarantees a certain minimum exposure to each group. To address the unbalanced allocation of pulls to individual arms within a group, we consider meritocratic fairness at the second level, which ensures that each arm is pulled according to its merit within the group. Our work shows that we can adapt a UCB-based algorithm to achieve a Bi-Level Fairness by providing (i) anytime Group Exposure Fairness guarantees and (ii) ensuring individual-level Meritocratic Fairness within each group. We first show that one can decompose regret bounds into two components: (a) regret due to anytime group exposure fairness and (b) regret due to meritocratic fairness within each group. Our proposed algorithm BF-UCB balances these two regrets optimally to achieve the upper bound of $O(\sqrt{T})$ on regret; $T$ being the stopping time. With the help of simulated experiments, we further show that BF-UCB achieves sub-linear regret; provides better group and individual exposure guarantees compared to existing algorithms; and does not result in a significant drop in reward with respect to UCB algorithm, which does not impose any fairness constraint.  ( 3 min )

Hypergraphs, with hyperedges connecting more than two nodes, are key for modelling higher-order interactions in real-world data. The success of graph neural networks (GNNs) reveals the capability of neural networks to process data with pairwise interactions. This inspires the usage of neural networks for data with higher-order interactions, thereby leading to the development of hypergraph neural networks (HyperGNNs). GNNs and HyperGNNs are typically considered distinct since they are designed for data on different geometric topologies. However, in this paper, we theoretically demonstrate that, in the context of node classification, most HyperGNNs can be approximated using a GNN with a weighted clique expansion of the hypergraph. This leads to WCE-GNN, a simple and efficient framework comprising a GNN and a weighted clique expansion (WCE), for hypergraph node classification. Experiments on nine real-world hypergraph node classification benchmarks showcase that WCE-GNN demonstrates not only higher classification accuracy compared to state-of-the-art HyperGNNs, but also superior memory and runtime efficiency.  ( 2 min )

In Federated Learning (FL), forgetting, or the loss of knowledge across rounds, hampers algorithm convergence, particularly in the presence of severe data heterogeneity among clients. This study explores the nuances of this issue, emphasizing the critical role of forgetting in FL's inefficient learning within heterogeneous data contexts. Knowledge loss occurs in both client-local updates and server-side aggregation steps; addressing one without the other fails to mitigate forgetting. We introduce a metric to measure forgetting granularly, ensuring distinct recognition amid new knowledge acquisition. Leveraging these insights, we propose Flashback, an FL algorithm with a dynamic distillation approach that is used to regularize the local models, and effectively aggregate their knowledge. Across different benchmarks, Flashback outperforms other methods, mitigates forgetting, and achieves faster round-to-target-accuracy, by converging in 6 to 16 rounds.  ( 2 min )

SHAP is a popular approach to explain black-box models by revealing the importance of individual features. As it ignores feature interactions, SHAP explanations can be confusing up to misleading. NSHAP, on the other hand, reports the additive importance for all subsets of features. While this does include all interacting sets of features, it also leads to an exponentially sized, difficult to interpret explanation. In this paper, we propose to combine the best of these two worlds, by partitioning the features into parts that significantly interact, and use these parts to compose a succinct, interpretable, additive explanation. We derive a criterion by which to measure the representativeness of such a partition for a models behavior, traded off against the complexity of the resulting explanation. To efficiently find the best partition out of super-exponentially many, we show how to prune sub-optimal solutions using a statistical test, which not only improves runtime but also helps to detect spurious interactions. Experiments on synthetic and real world data show that our explanations are both more accurate resp. more easily interpretable than those of SHAP and NSHAP.  ( 2 min )

We show that offline actor-critic reinforcement learning can scale to large models - such as transformers - and follows similar scaling laws as supervised learning. We find that offline actor-critic algorithms can outperform strong, supervised, behavioral cloning baselines for multi-task training on a large dataset containing both sub-optimal and expert behavior on 132 continuous control tasks. We introduce a Perceiver-based actor-critic model and elucidate the key model features needed to make offline RL work with self- and cross-attention modules. Overall, we find that: i) simple offline actor critic algorithms are a natural choice for gradually moving away from the currently predominant paradigm of behavioral cloning, and ii) via offline RL it is possible to learn multi-task policies that master many domains simultaneously, including real robotics tasks, from sub-optimal demonstrations or self-generated data.  ( 2 min )

Recent advancements in federated learning (FL) have produced models that retain user privacy by training across multiple decentralized devices or systems holding local data samples. However, these strategies often neglect the inherent challenges of statistical heterogeneity and vulnerability to adversarial attacks, which can degrade model robustness and fairness. Personalized FL strategies offer some respite by adjusting models to fit individual client profiles, yet they tend to neglect server-side aggregation vulnerabilities. To address these issues, we propose Reinforcement Federated Learning (RFL), a novel framework that leverages deep reinforcement learning to adaptively optimize client contribution during aggregation, thereby enhancing both model robustness against malicious clients and fairness across participants under non-identically distributed settings. To achieve this goal, we propose a meticulous approach involving a Deep Deterministic Policy Gradient-based algorithm for continuous control of aggregation weights, an innovative client selection method based on model parameter distances, and a reward mechanism guided by validation set performance. Empirically, extensive experiments demonstrate that, in terms of robustness, RFL outperforms the state-of-the-art methods, while maintaining comparable levels of fairness, offering a promising solution to build resilient and fair federated systems.  ( 2 min )

In this work, we examine a network of agents operating asynchronously, aiming to discover an ideal global model that suits individual local datasets. Our assumption is that each agent independently chooses when to participate throughout the algorithm and the specific subset of its neighbourhood with which it will cooperate at any given moment. When an agent chooses to take part, it undergoes multiple local updates before conveying its outcomes to the sub-sampled neighbourhood. Under this setup, we prove that the resulting asynchronous diffusion strategy is stable in the mean-square error sense and provide performance guarantees specifically for the federated learning setting. We illustrate the findings with numerical simulations.  ( 2 min )

Social networks are vital for information sharing, especially in the health sector for discussing diseases and treatments. These platforms, however, often feature posts as brief texts, posing challenges for Artificial Intelligence (AI) in understanding context. We introduce a novel hybrid approach combining community-maintained knowledge graphs (like Wikidata) with deep learning to enhance the categorization of social media posts. This method uses advanced entity recognizers and linkers (like Falcon 2.0) to connect short post entities to knowledge graphs. Knowledge graph embeddings (KGEs) and contextualized word embeddings (like BERT) are then employed to create rich, context-based representations of these posts. Our focus is on the health domain, particularly in identifying posts related to eating disorders (e.g., anorexia, bulimia) to aid healthcare providers in early diagnosis. We tested our approach on a dataset of 2,000 tweets about eating disorders, finding that merging word embeddings with knowledge graph information enhances the predictive models' reliability. This methodology aims to assist health experts in spotting patterns indicative of mental disorders, thereby improving early detection and accurate diagnosis for personalized medicine.  ( 3 min )

We address offline reinforcement learning with privacy guarantees, where the goal is to train a policy that is differentially private with respect to individual trajectories in the dataset. To achieve this, we introduce DP-MORL, an MBRL algorithm coming with differential privacy guarantees. A private model of the environment is first learned from offline data using DP-FedAvg, a training method for neural networks that provides differential privacy guarantees at the trajectory level. Then, we use model-based policy optimization to derive a policy from the (penalized) private model, without any further interaction with the system or access to the input data. We empirically show that DP-MORL enables the training of private RL agents from offline data and we furthermore outline the price of privacy in this setting.  ( 2 min )

The growing concern about data privacy has led to the development of private inference (PI) frameworks in client-server applications which protects both data privacy and model IP. However, the cryptographic primitives required yield significant latency overhead which limits its wide-spread application. At the same time, changing environments demand the PI service to be robust against various naturally occurring and gradient-based perturbations. Despite several works focused on the development of latency-efficient models suitable for PI, the impact of these models on robustness has remained unexplored. Towards this goal, this paper presents RLNet, a class of robust linearized networks that can yield latency improvement via reduction of high-latency ReLU operations while improving the model performance on both clean and corrupted images. In particular, RLNet models provide a "triple win ticket" of improved classification accuracy on clean, naturally perturbed, and gradient-based perturbed images using a shared-mask shared-weight architecture with over an order of magnitude fewer ReLUs than baseline models. To demonstrate the efficacy of RLNet, we perform extensive experiments with ResNet and WRN model variants on CIFAR-10, CIFAR-100, and Tiny-ImageNet datasets. Our experimental evaluations show that RLNet can yield models with up to 11.14x fewer ReLUs, with accuracy close to the all-ReLU models, on clean, naturally perturbed, and gradient-based perturbed images. Compared with the SoTA non-robust linearized models at similar ReLU budgets, RLNet achieves an improvement in adversarial accuracy of up to ~47%, naturally perturbed accuracy up to ~16.4%, while improving clean image accuracy up to ~1.5%.  ( 3 min )

Parkinson's disease is easy to diagnose when it is advanced, but it is very difficult to diagnose in its early stages. Early diagnosis is essential to be able to treat the symptoms. It impacts on daily activities and reduces the quality of life of both the patients and their families and it is also the second most prevalent neurodegenerative disorder after Alzheimer in people over the age of 60. Most current studies on the prediction of Parkinson's severity are carried out in advanced stages of the disease. In this work, the study analyzes a set of variables that can be easily extracted from voice analysis, making it a very non-intrusive technique. In this paper, a method based on different deep learning techniques is proposed with two purposes. On the one hand, to find out if a person has severe or non-severe Parkinson's disease, and on the other hand, to determine by means of regression techniques the degree of evolution of the disease in a given patient. The UPDRS (Unified Parkinson's Disease Rating Scale) has been used by taking into account both the motor and total labels, and the best results have been obtained using a mixed multi-layer perceptron (MLP) that classifies and regresses at the same time and the most important features of the data obtained are taken as input, using an autoencoder. A success rate of 99.15% has been achieved in the problem of predicting whether a person suffers from severe Parkinson's disease or non-severe Parkinson's disease. In the degree of disease involvement prediction problem case, a MSE (Mean Squared Error) of 0.15 has been obtained. Using a full deep learning pipeline for data preprocessing and classification has proven to be very promising in the field Parkinson's outperforming the state-of-the-art proposals.  ( 3 min )

Cardiovascular diseases state as one of the greatest risks of death for the general population. Late detection in heart diseases highly conditions the chances of survival for patients. Age, sex, cholesterol level, sugar level, heart rate, among other factors, are known to have an influence on life-threatening heart problems, but, due to the high amount of variables, it is often difficult for an expert to evaluate each patient taking this information into account. In this manuscript, the authors propose using deep learning methods, combined with feature augmentation techniques for evaluating whether patients are at risk of suffering cardiovascular disease. The results of the proposed methods outperform other state of the art methods by 4.4%, leading to a precision of a 90%, which presents a significant improvement, even more so when it comes to an affliction that affects a large population.  ( 2 min )

Reinforcement learning (RL) is a classical tool to solve network control or policy optimization problems in unknown environments. The original Q-learning suffers from performance and complexity challenges across very large networks. Herein, a novel model-free ensemble reinforcement learning algorithm which adapts the classical Q-learning is proposed to handle these challenges for networks which admit Markov decision process (MDP) models. Multiple Q-learning algorithms are run on multiple, distinct, synthetically created and structurally related Markovian environments in parallel; the outputs are fused using an adaptive weighting mechanism based on the Jensen-Shannon divergence (JSD) to obtain an approximately optimal policy with low complexity. The theoretical justification of the algorithm, including the convergence of key statistics and Q-functions are provided. Numerical results across several network models show that the proposed algorithm can achieve up to 55% less average policy error with up to 50% less runtime complexity than the state-of-the-art Q-learning algorithms. Numerical results validate assumptions made in the theoretical analysis.  ( 2 min )

We present a new algorithm to optimize distributions defined implicitly by parameterized stochastic diffusions. Doing so allows us to modify the outcome distribution of sampling processes by optimizing over their parameters. We introduce a general framework for first-order optimization of these processes, that performs jointly, in a single loop, optimization and sampling steps. This approach is inspired by recent advances in bilevel optimization and automatic implicit differentiation, leveraging the point of view of sampling as optimization over the space of probability distributions. We provide theoretical guarantees on the performance of our method, as well as experimental results demonstrating its effectiveness in real-world settings.  ( 2 min )

The LoRA-finetuning quantization of LLMs has been extensively studied to obtain accurate yet compact LLMs for deployment on resource-constrained hardware. However, existing methods cause the quantized LLM to severely degrade and even fail to benefit from the finetuning of LoRA. This paper proposes a novel IR-QLoRA for pushing quantized LLMs with LoRA to be highly accurate through information retention. The proposed IR-QLoRA mainly relies on two technologies derived from the perspective of unified information: (1) statistics-based Information Calibration Quantization allows the quantized parameters of LLM to retain original information accurately; (2) finetuning-based Information Elastic Connection makes LoRA utilizes elastic representation transformation with diverse information. Comprehensive experiments show that IR-QLoRA can significantly improve accuracy across LLaMA and LLaMA2 families under 2-4 bit-widths, e.g., 4- bit LLaMA-7B achieves 1.4% improvement on MMLU compared with the state-of-the-art methods. The significant performance gain requires only a tiny 0.31% additional time consumption, revealing the satisfactory efficiency of our IRQLoRA. We highlight that IR-QLoRA enjoys excellent versatility, compatible with various frameworks (e.g., NormalFloat and Integer quantization) and brings general accuracy gains. The code is available at https://github.com/htqin/ir-qlora.  ( 2 min )

Machine learning models are susceptible to membership inference attacks (MIAs), which aim to infer whether a sample is in the training set. Existing work utilizes gradient ascent to enlarge the loss variance of training data, alleviating the privacy risk. However, optimizing toward a reverse direction may cause the model parameters to oscillate near local minima, leading to instability and suboptimal performance. In this work, we propose a novel method -- Convex-Concave Loss, which enables a high variance of training loss distribution by gradient descent. Our method is motivated by the theoretical analysis that convex losses tend to decrease the loss variance during training. Thus, our key idea behind CCL is to reduce the convexity of loss functions with a concave term. Trained with CCL, neural networks produce losses with high variance for training data, reinforcing the defense against MIAs. Extensive experiments demonstrate the superiority of CCL, achieving state-of-the-art balance in the privacy-utility trade-off.  ( 2 min )

Wasserstein Gradient Flow (WGF) describes the gradient dynamics of probability density within the Wasserstein space. WGF provides a promising approach for conducting optimization over the probability distributions. Numerically approximating the continuous WGF requires the time discretization method. The most well-known method for this is the JKO scheme. In this regard, previous WGF models employ the JKO scheme and parametrize transport map for each JKO step. However, this approach results in quadratic training complexity $O(K^2)$ with the number of JKO step $K$. This severely limits the scalability of WGF models. In this paper, we introduce a scalable WGF-based generative model, called Semi-dual JKO (S-JKO). Our model is based on the semi-dual form of the JKO step, derived from the equivalence between the JKO step and the Unbalanced Optimal Transport. Our approach reduces the training complexity to $O(K)$. We demonstrate that our model significantly outperforms existing WGF-based generative models, achieving FID scores of 2.62 on CIFAR-10 and 6.19 on CelebA-HQ-256, which are comparable to state-of-the-art image generative models.  ( 2 min )

In reinforcement learning, temporal abstraction in the action space, exemplified by action repetition, is a technique to facilitate policy learning through extended actions. However, a primary limitation in previous studies of action repetition is its potential to degrade performance, particularly when sub-optimal actions are repeated. This issue often negates the advantages of action repetition. To address this, we propose a novel algorithm named Uncertainty-aware Temporal Extension (UTE). UTE employs ensemble methods to accurately measure uncertainty during action extension. This feature allows policies to strategically choose between emphasizing exploration or adopting an uncertainty-averse approach, tailored to their specific needs. We demonstrate the effectiveness of UTE through experiments in Gridworld and Atari 2600 environments. Our findings show that UTE outperforms existing action repetition algorithms, effectively mitigating their inherent limitations and significantly enhancing policy learning efficiency.  ( 2 min )

Implicit Neural Representations (INRs) have gained popularity for encoding signals as compact, differentiable entities. While commonly using techniques like Fourier positional encodings or non-traditional activation functions (e.g., Gaussian, sinusoid, or wavelets) to capture high-frequency content, their properties lack exploration within a unified theoretical framework. Addressing this gap, we conduct a comprehensive analysis of these activations from a sampling theory perspective. Our investigation reveals that sinc activations, previously unused in conjunction with INRs, are theoretically optimal for signal encoding. Additionally, we establish a connection between dynamical systems and INRs, leveraging sampling theory to bridge these two paradigms.  ( 2 min )

While mixture density networks (MDNs) have been extensively used for regression tasks, they have not been used much for classification tasks. One reason for this is that the usability of MDNs for classification is not clear and straightforward. In this paper, we propose two MDN-based models for classification tasks. Both models fit mixtures of Gaussians to the the data and use the fitted distributions to classify a given sample by evaluating the learnt cumulative distribution function for the given input features. While the proposed MDN-based models perform slightly better than, or on par with, five baseline classification models on three publicly available datasets, the real utility of our models comes out through a real-world product bundling application. Specifically, we use our MDN-based models to learn the willingness-to-pay (WTP) distributions for two products from synthetic sales data of the individual products. The Gaussian mixture representation of the learnt WTP distributions is then exploited to obtain the WTP distribution of the bundle consisting of both the products. The proposed MDN-based models are able to approximate the true WTP distributions of both products and the bundle well.  ( 2 min )

Diagrams matter. Unfortunately, the deep learning community has no standard method for diagramming architectures. The current combination of linear algebra notation and ad-hoc diagrams fails to offer the necessary precision to understand architectures in all their detail. However, this detail is critical for faithful implementation, mathematical analysis, further innovation, and ethical assurances. I present neural circuit diagrams, a graphical language tailored to the needs of communicating deep learning architectures. Neural circuit diagrams naturally keep track of the changing arrangement of data, precisely show how operations are broadcast over axes, and display the critical parallel behavior of linear operations. A lingering issue with existing diagramming methods is the inability to simultaneously express the detail of axes and the free arrangement of data, which neural circuit diagrams solve. Their compositional structure is analogous to code, creating a close correspondence between diagrams and implementation. In this work, I introduce neural circuit diagrams for an audience of machine learning researchers. After introducing neural circuit diagrams, I cover a host of architectures to show their utility and breed familiarity. This includes the transformer architecture, convolution (and its difficult-to-explain extensions), residual networks, the U-Net, and the vision transformer. I include a Jupyter notebook that provides evidence for the close correspondence between diagrams and code. Finally, I examine backpropagation using neural circuit diagrams. I show their utility in providing mathematical insight and analyzing algorithms' time and space complexities.  ( 3 min )

This paper introduces DiffTOP, which utilizes Differentiable Trajectory OPtimization as the policy representation to generate actions for deep reinforcement and imitation learning. Trajectory optimization is a powerful and widely used algorithm in control, parameterized by a cost and a dynamics function. The key to our approach is to leverage the recent progress in differentiable trajectory optimization, which enables computing the gradients of the loss with respect to the parameters of trajectory optimization. As a result, the cost and dynamics functions of trajectory optimization can be learned end-to-end. DiffTOP addresses the ``objective mismatch'' issue of prior model-based RL algorithms, as the dynamics model in DiffTOP is learned to directly maximize task performance by differentiating the policy gradient loss through the trajectory optimization process. We further benchmark DiffTOP for imitation learning on standard robotic manipulation task suites with high-dimensional sensory observations and compare our method to feed-forward policy classes as well as Energy-Based Models (EBM) and Diffusion. Across 15 model-based RL tasks and 13 imitation learning tasks with high-dimensional image and point cloud inputs, DiffTOP outperforms prior state-of-the-art methods in both domains.  ( 2 min )

Federated Learning (FL) has emerged as a privacy-preserving machine learning paradigm facilitating collaborative training across multiple clients without sharing local data. Despite advancements in edge device capabilities, communication bottlenecks present challenges in aggregating a large number of clients; only a portion of the clients can update their parameters upon each global aggregation. This phenomenon introduces the critical challenge of stragglers in FL and the profound impact of client scheduling policies on global model convergence and stability. Existing scheduling strategies address staleness but predominantly focus on either timeliness or content. Motivated by this, we introduce the novel concept of Version Age of Information (VAoI) to FL. Unlike traditional Age of Information metrics, VAoI considers both timeliness and content staleness. Each client's version age is updated discretely, indicating the freshness of information. VAoI is incorporated into the client scheduling policy to minimize the average VAoI, mitigating the impact of outdated local updates and enhancing the stability of FL systems.  ( 2 min )

Given the generational gap in available hardware between lay practitioners and the most endowed institutions, LLMs are becoming increasingly inaccessible as they grow in size. Whilst many approaches have been proposed to compress LLMs to make their resource consumption manageable, these methods themselves tend to be resource intensive, putting them out of the reach of the very user groups they target. In this work, we explore the problem of structured pruning of LLMs using only forward passes. We seek to empower practitioners to prune models so large that their available hardware has just enough memory to run inference. We develop Bonsai, a gradient-free, perturbative pruning method capable of delivering small, fast, and accurate pruned models. We observe that Bonsai outputs pruned models that (i) outperform those generated by more expensive gradient-based structured pruning methods, and (ii) are twice as fast (with comparable accuracy) as those generated by semi-structured pruning methods requiring comparable resources as Bonsai. We also leverage Bonsai to produce a new sub-2B model using a single A6000 that yields state-of-the-art performance on 4/6 tasks on the Huggingface Open LLM leaderboard.  ( 2 min )

A pivotal aspect in the design of neural networks lies in selecting activation functions, crucial for introducing nonlinear structures that capture intricate input-output patterns. While the effectiveness of adaptive or trainable activation functions has been studied in domains with ample data, like image classification problems, significant gaps persist in understanding their influence on classification accuracy and predictive uncertainty in settings characterized by limited data availability. This research aims to address these gaps by investigating the use of two types of adaptive activation functions. These functions incorporate shared and individual trainable parameters per hidden layer and are examined in three testbeds derived from additive manufacturing problems containing fewer than one hundred training instances. Our investigation reveals that adaptive activation functions, such as Exponential Linear Unit (ELU) and Softplus, with individual trainable parameters, result in accurate and confident prediction models that outperform fixed-shape activation functions and the less flexible method of using identical trainable activation functions in a hidden layer. Therefore, this work presents an elegant way of facilitating the design of adaptive neural networks in scientific and engineering problems.  ( 2 min )

Although binary classification is a well-studied problem in computer vision, training reliable classifiers under severe class imbalance remains a challenging problem. Recent work has proposed techniques that mitigate the effects of training under imbalance by modifying the loss functions or optimization methods. While this work has led to significant improvements in the overall accuracy in the multi-class case, we observe that slight changes in hyperparameter values of these methods can result in highly variable performance in terms of Receiver Operating Characteristic (ROC) curves on binary problems with severe imbalance. To reduce the sensitivity to hyperparameter choices and train more general models, we propose training over a family of loss functions, instead of a single loss function. We develop a method for applying Loss Conditional Training (LCT) to an imbalanced classification problem. Extensive experiment results, on both CIFAR and Kaggle competition datasets, show that our method improves model performance and is more robust to hyperparameter choices. Code will be made available at: https://github.com/klieberman/roc_lct.  ( 2 min )

The Fisher information matrix characterizes the local geometry in the parameter space of neural networks. It elucidates insightful theories and useful tools to understand and optimize neural networks. Given its high computational cost, practitioners often use random estimators and evaluate only the diagonal entries. We examine two such estimators, whose accuracy and sample complexity depend on their associated variances. We derive bounds of the variances and instantiate them in regression and classification networks. We navigate trade-offs of both estimators based on analytical and numerical studies. We find that the variance quantities depend on the non-linearity with respect to different parameter groups and should not be neglected when estimating the Fisher information.  ( 2 min )

Recently, Temporal Graph Neural Networks (TGNNs) have demonstrated state-of-the-art performance in various high-impact applications, including fraud detection and content recommendation. Despite the success of TGNNs, they are prone to the prevalent noise found in real-world dynamic graphs like time-deprecated links and skewed interaction distribution. The noise causes two critical issues that significantly compromise the accuracy of TGNNs: (1) models are supervised by inferior interactions, and (2) noisy input induces high variance in the aggregated messages. However, current TGNN denoising techniques do not consider the diverse and dynamic noise pattern of each node. In addition, they also suffer from the excessive mini-batch generation overheads caused by traversing more neighbors. We believe the remedy for fast and accurate TGNNs lies in temporal adaptive sampling. In this work, we propose TASER, the first adaptive sampling method for TGNNs optimized for accuracy, efficiency, and scalability. TASER adapts its mini-batch selection based on training dynamics and temporal neighbor selection based on the contextual, structural, and temporal properties of past interactions. To alleviate the bottleneck in mini-batch generation, TASER implements a pure GPU-based temporal neighbor finder and a dedicated GPU feature cache. We evaluate the performance of TASER using two state-of-the-art backbone TGNNs. On five popular datasets, TASER outperforms the corresponding baselines by an average of 2.3% in Mean Reciprocal Rank (MRR) while achieving an average of 5.1x speedup in training time.  ( 3 min )

User intentions are typically formalized as evaluation rewards to be maximized when fine-tuning language models (LMs). Existing alignment methods, such as Direct Preference Optimization (DPO), are mainly tailored for pairwise preference data where rewards are implicitly defined rather than explicitly given. In this paper, we introduce a general framework for LM alignment, leveraging Noise Contrastive Estimation (NCE) to bridge the gap in handling reward datasets explicitly annotated with scalar evaluations. Our framework comprises two parallel algorithms, NCA and InfoNCA, both enabling the direct extraction of an LM policy from reward data as well as preference data. Notably, we show that the DPO loss is a special case of our proposed InfoNCA objective under pairwise preference settings, thereby integrating and extending current alignment theories. By contrasting NCA and InfoNCA, we show that InfoNCA and DPO adjust relative likelihood across different responses to a single instruction, while NCA optimizes absolute likelihood for each response. We apply our methods to align a 7B language model with a GPT-4 annotated reward dataset. Experimental results suggest that InfoNCA surpasses the DPO baseline in GPT-4 evaluations, while NCA enjoys better training stability with competitive performance.  ( 2 min )

Time series forecasting is essential for many practical applications, with the adoption of transformer-based models on the rise due to their impressive performance in NLP and CV. Transformers' key feature, the attention mechanism, dynamically fusing embeddings to enhance data representation, often relegating attention weights to a byproduct role. Yet, time series data, characterized by noise and non-stationarity, poses significant forecasting challenges. Our approach elevates attention weights as the primary representation for time series, capitalizing on the temporal relationships among data points to improve forecasting accuracy. Our study shows that an attention map, structured using global landmarks and local windows, acts as a robust kernel representation for data points, withstanding noise and shifts in distribution. Our method outperforms state-of-the-art models, reducing mean squared error (MSE) in multivariate time series forecasting by a notable 3.6% without altering the core neural network architecture. It serves as a versatile component that can readily replace recent patching based embedding schemes in transformer-based models, boosting their performance.  ( 2 min )

The over-parameterized pre-trained models pose a great challenge to fine-tuning with limited computation resources. An intuitive solution is to prune the less informative samples from the fine-tuning dataset. A series of training-based scoring functions are proposed to quantify the informativeness of the data subset but the pruning cost becomes non-negligible due to the heavy parameter updating. For efficient pruning, it is viable to adapt the similarity scoring function of geometric-based methods from training-based to training-free. However, we empirically show that such adaption distorts the original pruning and results in inferior performance on the downstream tasks. In this paper, we propose to treat the learning complexity (LC) as the scoring function for classification and regression tasks. Specifically, the learning complexity is defined as the average predicted confidence of subnets with different capacities, which encapsulates data processing within a converged model. Then we preserve the diverse and easy samples for fine-tuning. Extensive experiments with vision datasets demonstrate the effectiveness and efficiency of the proposed scoring function for classification tasks. For the instruction fine-tuning of large language models, our method achieves state-of-the-art performance with stable convergence, outperforming the full training with only 10\% of the instruction dataset.  ( 2 min )

We study the problem of preferential Bayesian optimization (BO), where we aim to optimize a black-box function with only preference feedback over a pair of candidate solutions. Inspired by the likelihood ratio idea, we construct a confidence set of the black-box function using only the preference feedback. An optimistic algorithm with an efficient computational method is then developed to solve the problem, which enjoys an information-theoretic bound on the cumulative regret, a first-of-its-kind for preferential BO. This bound further allows us to design a scheme to report an estimated best solution, with a guaranteed convergence rate. Experimental results on sampled instances from Gaussian processes, standard test functions, and a thermal comfort optimization problem all show that our method stably achieves better or competitive performance as compared to the existing state-of-the-art heuristics, which, however, do not have theoretical guarantees on regret bounds or convergence.  ( 2 min )

In the evolving landscape of federated learning (FL), addressing label noise presents unique challenges due to the decentralized and diverse nature of data collection across clients. Traditional centralized learning approaches to mitigate label noise are constrained in FL by privacy concerns and the heterogeneity of client data. This paper revisits early-learning regularization, introducing an innovative strategy, Federated Label-mixture Regularization (FLR). FLR adeptly adapts to FL's complexities by generating new pseudo labels, blending local and global model predictions. This method not only enhances the accuracy of the global model in both i.i.d. and non-i.i.d. settings but also effectively counters the memorization of noisy labels. Demonstrating compatibility with existing label noise and FL techniques, FLR paves the way for improved generalization in FL environments fraught with label inaccuracies.  ( 2 min )

Multimodal data pervades various domains, including healthcare, social media, and transportation, where multimodal graphs play a pivotal role. Machine learning on multimodal graphs, referred to as multimodal graph learning (MGL), is essential for successful artificial intelligence (AI) applications. The burgeoning research in this field encompasses diverse graph data types and modalities, learning techniques, and application scenarios. This survey paper conducts a comparative analysis of existing works in multimodal graph learning, elucidating how multimodal learning is achieved across different graph types and exploring the characteristics of prevalent learning techniques. Additionally, we delineate significant applications of multimodal graph learning and offer insights into future directions in this domain. Consequently, this paper serves as a foundational resource for researchers seeking to comprehend existing MGL techniques and their applicability across diverse scenarios.  ( 2 min )

Symbolic regression holds great potential for uncovering underlying mathematical and physical relationships from empirical data. While existing transformer-based models have recently achieved significant success in this domain, they face challenges in terms of generalizability and adaptability. Typically, in cases where the output expressions do not adequately fit experimental data, the models lack efficient mechanisms to adapt or modify the expression. This inflexibility hinders their application in real-world scenarios, particularly in discovering unknown physical or biological relationships. Inspired by how human experts refine and adapt expressions, we introduce Symbolic Q-network (Sym-Q), a novel reinforcement learning-based model that redefines symbolic regression as a sequential decision-making task. Sym-Q leverages supervised demonstrations and refines expressions based on reward signals indicating the quality of fitting precision. Its distinctive ability to manage the complexity of expression trees and perform precise step-wise updates significantly enhances flexibility and efficiency. Our results demonstrate that Sym-Q excels not only in recovering underlying mathematical structures but also uniquely learns to efficiently refine the output expression based on reward signals, thereby discovering underlying expressions. Sym-Q paves the way for more intuitive and impactful discoveries in physical science, marking a substantial advancement in the field of symbolic regression.  ( 2 min )

Generative Flow Networks (GFlowNets, GFNs) are a generative framework for learning unnormalized probability mass functions over discrete spaces. Since their inception, GFlowNets have proven to be useful for learning generative models in applications where the majority of the discrete space is unvisited during training. This has inspired some to hypothesize that GFlowNets, when paired with deep neural networks (DNNs), have favourable generalization properties. In this work, we empirically verify some of the hypothesized mechanisms of generalization of GFlowNets. In particular, we find that the functions that GFlowNets learn to approximate have an implicit underlying structure which facilitate generalization. We also find that GFlowNets are sensitive to being trained offline and off-policy; however, the reward implicitly learned by GFlowNets is robust to changes in the training distribution.  ( 2 min )

Spam emails are unsolicited, annoying and sometimes harmful messages which may contain malware, phishing or hoaxes. Unlike most studies that address the design of efficient anti-spam filters, we approach the spam email problem from a different and novel perspective. Focusing on the needs of cybersecurity units, we follow a topic-based approach for addressing the classification of spam email into multiple categories. We propose SPEMC-15K-E and SPEMC-15K-S, two novel datasets with approximately 15K emails each in English and Spanish, respectively, and we label them using agglomerative hierarchical clustering into 11 classes. We evaluate 16 pipelines, combining four text representation techniques -Term Frequency-Inverse Document Frequency (TF-IDF), Bag of Words, Word2Vec and BERT- and four classifiers: Support Vector Machine, N\"aive Bayes, Random Forest and Logistic Regression. Experimental results show that the highest performance is achieved with TF-IDF and LR for the English dataset, with a F1 score of 0.953 and an accuracy of 94.6%, and while for the Spanish dataset, TF-IDF with NB yields a F1 score of 0.945 and 98.5% accuracy. Regarding the processing time, TF-IDF with LR leads to the fastest classification, processing an English and Spanish spam email in and on average, respectively.  ( 2 min )

Feature selection is a key step when dealing with high dimensional data. In particular, these techniques simplify the process of knowledge discovery from the data by selecting the most relevant features out of the noisy, redundant and irrelevant features. A problem that arises in many of these practical applications is that the outcome of the feature selection algorithm is not stable. Thus, small variations in the data may yield very different feature rankings. Assessing the stability of these methods becomes an important issue in the previously mentioned situations. We propose an information theoretic approach based on the Jensen Shannon divergence to quantify this robustness. Unlike other stability measures, this metric is suitable for different algorithm outcomes: full ranked lists, feature subsets as well as the lesser studied partial ranked lists. This generalized metric quantifies the difference among a whole set of lists with the same size, following a probabilistic approach and being able to give more importance to the disagreements that appear at the top of the list. Moreover, it possesses desirable properties including correction for change, upper lower bounds and conditions for a deterministic selection. We illustrate the use of this stability metric with data generated in a fully controlled way and compare it with popular metrics including the Spearmans rank correlation and the Kunchevas index on feature ranking and selection outcomes, respectively. Additionally, experimental validation of the proposed approach is carried out on a real-world problem of food quality assessment showing its potential to quantify stability from different perspectives.  ( 3 min )

Background and objective Risk prediction models aim at identifying people at higher risk of developing a target disease. Feature selection is particularly important to improve the prediction model performance avoiding overfitting and to identify the leading cancer risk (and protective) factors. Assessing the stability of feature selection/ranking algorithms becomes an important issue when the aim is to analyze the features with more prediction power. Methods This work is focused on colorectal cancer, assessing several feature ranking algorithms in terms of performance for a set of risk prediction models (Neural Networks, Support Vector Machines (SVM), Logistic Regression, k-Nearest Neighbors and Boosted Trees). Additionally, their robustness is evaluated following a conventional approach with scalar stability metrics and a visual approach proposed in this work to study both similarity among feature ranking techniques as well as their individual stability. A comparative analysis is carried out between the most relevant features found out in this study and features provided by the experts according to the state-of-the-art knowledge. Results The two best performance results in terms of Area Under the ROC Curve (AUC) are achieved with a SVM classifier using the top-41 features selected by the SVM wrapper approach (AUC=0.693) and Logistic Regression with the top-40 features selected by the Pearson (AUC=0.689). Experiments showed that performing feature selection contributes to classification performance with a 3.9% and 1.9% improvement in AUC for the SVM and Logistic Regression classifier, respectively, with respect to the results using the full feature set. The visual approach proposed in this work allows to see that the Neural Network-based wrapper ranking is the most unstable while the Random Forest is the most stable.  ( 3 min )

Multimodal Federated Learning (MMFL) utilizes multiple modalities in each client to build a more powerful Federated Learning (FL) model than its unimodal counterpart. However, the impact of missing modality in different clients, also called modality incongruity, has been greatly overlooked. This paper, for the first time, analyses the impact of modality incongruity and reveals its connection with data heterogeneity across participating clients. We particularly inspect whether incongruent MMFL with unimodal and multimodal clients is more beneficial than unimodal FL. Furthermore, we examine three potential routes of addressing this issue. Firstly, we study the effectiveness of various self-attention mechanisms towards incongruity-agnostic information fusion in MMFL. Secondly, we introduce a modality imputation network (MIN) pre-trained in a multimodal client for modality translation in unimodal clients and investigate its potential towards mitigating the missing modality problem. Thirdly, we assess the capability of client-level and server-level regularization techniques towards mitigating modality incongruity effects. Experiments are conducted under several MMFL settings on two publicly available real-world datasets, MIMIC-CXR and Open-I, with Chest X-Ray and radiology reports.  ( 2 min )

Although the finite element approach of the Ice-sheet and Sea-level System Model (ISSM) solves ice dynamics problems governed by Stokes equations quickly and accurately, such numerical modeling requires intensive computation on central processing units (CPU). In this study, we develop graph neural networks (GNN) as fast surrogate models to preserve the finite element structure of ISSM. Using the 20-year transient simulations in the Pine Island Glacier (PIG), we train and test three GNNs: graph convolutional network (GCN), graph attention network (GAT), and equivariant graph convolutional network (EGCN). These GNNs reproduce ice thickness and velocity with better accuracy than the classic convolutional neural network (CNN) and multi-layer perception (MLP). In particular, GNNs successfully capture the ice mass loss and acceleration induced by higher basal melting rates in the PIG. When our GNN emulators are implemented on graphic processing units (GPUs), they show up to 50 times faster computational time than the CPU-based ISSM simulation.  ( 2 min )

A natural approach for reinforcement learning is to predict future rewards by unrolling a neural network world model, and to backpropagate through the resulting computational graph to learn a policy. However, this method often becomes impractical for long horizons since typical world models induce hard-to-optimize loss landscapes. Transformers are known to efficiently propagate gradients overlong horizons: could they be the solution to this problem? Surprisingly, we show that commonly-used transformer world models produce circuitous gradient paths, which can be detrimental to long-range policy gradients. To tackle this challenge, we propose a class of world models called Actions World Models (AWMs), designed to provide more direct routes for gradient propagation. We integrate such AWMs into a policy gradient framework that underscores the relationship between network architectures and the policy gradient updates they inherently represent. We demonstrate that AWMs can generate optimization landscapes that are easier to navigate even when compared to those from the simulator itself. This property allows transformer AWMs to produce better policies than competitive baselines in realistic long-horizon tasks.  ( 2 min )

We refine and generalize what is known about coresets for classification problems via the sensitivity sampling framework. Such coresets seek the smallest possible subsets of input data, so one can optimize a loss function on the coreset and ensure approximation guarantees with respect to the original data. Our analysis provides the first no dimensional coresets, so the size does not depend on the dimension. Moreover, our results are general, apply for distributional input and can use iid samples, so provide sample complexity bounds, and work for a variety of loss functions. A key tool we develop is a Radamacher complexity version of the main sensitivity sampling approach, which can be of independent interest.  ( 2 min )

In recent years, Deep Reinforcement Learning (DRL) has become a popular paradigm in machine learning due to its successful applications to real-world and complex systems. However, even the state-of-the-art DRL models have been shown to suffer from reliability concerns -- for example, their susceptibility to adversarial inputs, i.e., small and abundant input perturbations that can fool the models into making unpredictable and potentially dangerous decisions. This drawback limits the deployment of DRL systems in safety-critical contexts, where even a small error cannot be tolerated. In this work, we present a comprehensive analysis of the characterization of adversarial inputs, through the lens of formal verification. Specifically, we introduce a novel metric, the Adversarial Rate, to classify models based on their susceptibility to such perturbations, and present a set of tools and algorithms for its computation. Our analysis empirically demonstrates how adversarial inputs can affect the safety of a given DRL system with respect to such perturbations. Moreover, we analyze the behavior of these configurations to suggest several useful practices and guidelines to help mitigate the vulnerability of trained DRL networks.  ( 2 min )

The comparative performance of hierarchical classification (HC) and flat classification (FC) methodologies in the realm of time series data analysis is investigated in this study. Dissimilarity measures, including Jensen-Shannon Distance (JSD), Task Similarity Distance (TSD), and Classifier Based Distance (CBD), are leveraged alongside various classifiers such as MINIROCKET, STSF, and SVM. A subset of datasets from the UCR archive, focusing on multi-class cases comprising more than two classes, is employed for analysis. A significant trend is observed wherein HC demonstrates significant superiority over FC when paired with MINIROCKET utilizing TSD, diverging from conventional understandings. Conversely, FC exhibits consistent dominance across all configurations when employing alternative classifiers such as STSF and SVM. Moreover, TSD is found to consistently outperform both CBD and JSD across nearly all scenarios, except in instances involving the STSF classifier where CBD showcases superior performance. This discrepancy underscores the nuanced nature of dissimilarity measures and emphasizes the importance of their tailored selection based on the dataset and classifier employed. Valuable insights into the dynamic interplay between classification methodologies and dissimilarity measures in the realm of time series data analysis are provided by these findings. By elucidating the performance variations across different configurations, a foundation is laid for refining classification methodologies and dissimilarity measures to optimize performance in diverse analytical scenarios. Furthermore, the need for continued research aimed at elucidating the underlying mechanisms driving classification performance in time series data analysis is underscored, with implications for enhancing predictive modeling and decision-making in various domains.  ( 3 min )

Learning-based approaches are emerging as an effective approach for safety filters for black-box dynamical systems. Existing methods have relied on certificate functions like Control Barrier Functions (CBFs) and Hamilton-Jacobi (HJ) reachability value functions. The primary motivation for our work is the recognition that ultimately, enforcing the safety constraint as a control input constraint at each state is what matters. By focusing on this constraint, we can eliminate dependence on any specific certificate function-based design. To achieve this, we define a discriminating hyperplane that shapes the half-space constraint on control input at each state, serving as a sufficient condition for safety. This concept not only generalizes over traditional safety methods but also simplifies safety filter design by eliminating dependence on specific certificate functions. We present two strategies to learn the discriminating hyperplane: (a) a supervised learning approach, using pre-verified control invariant sets for labeling, and (b) a reinforcement learning (RL) approach, which does not require such labels. The main advantage of our method, unlike conventional safe RL approaches, is the separation of performance and safety. This offers a reusable safety filter for learning new tasks, avoiding the need to retrain from scratch. As such, we believe that the new notion of the discriminating hyperplane offers a more generalizable direction towards designing safety filters, encompassing and extending existing certificate-function-based or safe RL methodologies.  ( 3 min )

Infinite-state Markov Decision Processes (MDPs) are essential in modeling and optimizing a wide variety of engineering problems. In the reinforcement learning (RL) context, a variety of algorithms have been developed to learn and optimize these MDPs. At the heart of many popular policy-gradient based learning algorithms, such as natural actor-critic, TRPO, and PPO, lies the Natural Policy Gradient (NPG) algorithm. Convergence results for these RL algorithms rest on convergence results for the NPG algorithm. However, all existing results on the convergence of the NPG algorithm are limited to finite-state settings. We prove the first convergence rate bound for the NPG algorithm for infinite-state average-reward MDPs, proving a $O(1/\sqrt{T})$ convergence rate, if the NPG algorithm is initialized with a good initial policy. Moreover, we show that in the context of a large class of queueing MDPs, the MaxWeight policy suffices to satisfy our initial-policy requirement and achieve a $O(1/\sqrt{T})$ convergence rate. Key to our result are state-dependent bounds on the relative value function achieved by the iterate policies of the NPG algorithm.  ( 2 min )

This paper presents a novel adaptation of the Stochastic Gradient Descent (SGD), termed AdaBatchGrad. This modification seamlessly integrates an adaptive step size with an adjustable batch size. An increase in batch size and a decrease in step size are well-known techniques to tighten the area of convergence of SGD and decrease its variance. A range of studies by R. Byrd and J. Nocedal introduced various testing techniques to assess the quality of mini-batch gradient approximations and choose the appropriate batch sizes at every step. Methods that utilized exact tests were observed to converge within $O(LR^2/\varepsilon)$ iterations. Conversely, inexact test implementations sometimes resulted in non-convergence and erratic performance. To address these challenges, AdaBatchGrad incorporates both adaptive batch and step sizes, enhancing the method's robustness and stability. For exact tests, our approach converges in $O(LR^2/\varepsilon)$ iterations, analogous to standard gradient descent. For inexact tests, it achieves convergence in $O(\max\lbrace LR^2/\varepsilon, \sigma^2 R^2/\varepsilon^2 \rbrace )$ iterations. This makes AdaBatchGrad markedly more robust and computationally efficient relative to prevailing methods. To substantiate the efficacy of our method, we experimentally show, how the introduction of adaptive step size and adaptive batch size gradually improves the performance of regular SGD. The results imply that AdaBatchGrad surpasses alternative methods, especially when applied to inexact tests.  ( 2 min )

Learning to Rank (LTR) is one of the most widely used machine learning applications. It is a key component in platforms with profound societal impacts, including job search, healthcare information retrieval, and social media content feeds. Conventional LTR models have been shown to produce biases results, stimulating a discourse on how to address the disparities introduced by ranking systems that solely prioritize user relevance. However, while several models of fair learning to rank have been proposed, they suffer from deficiencies either in accuracy or efficiency, thus limiting their applicability to real-world ranking platforms. This paper shows how efficiently-solvable fair ranking models, based on the optimization of Ordered Weighted Average (OWA) functions, can be integrated into the training loop of an LTR model to achieve favorable balances between fairness, user utility, and runtime efficiency. In particular, this paper is the first to show how to backpropagate through constrained optimizations of OWA objectives, enabling their use in integrated prediction and decision models.  ( 2 min )

Generative Flow Networks (GFlowNets; GFNs) are a family of reward/energy-based generative methods for combinatorial objects, capable of generating diverse and high-utility samples. However, biasing GFNs towards producing high-utility samples is non-trivial. In this work, we leverage connections between GFNs and reinforcement learning (RL) and propose to combine the GFN policy with an action-value estimate, $Q$, to create greedier sampling policies which can be controlled by a mixing parameter. We show that several variants of the proposed method, QGFN, are able to improve on the number of high-reward samples generated in a variety of tasks without sacrificing diversity.  ( 2 min )

A challenging problem in many modern machine learning tasks is to process weight-space features, i.e., to transform or extract information from the weights and gradients of a neural network. Recent works have developed promising weight-space models that are equivariant to the permutation symmetries of simple feedforward networks. However, they are not applicable to general architectures, since the permutation symmetries of a weight space can be complicated by recurrence or residual connections. This work proposes an algorithm that automatically constructs permutation equivariant models, which we refer to as universal neural functionals (UNFs), for any weight space. Among other applications, we demonstrate how UNFs can be substituted into existing learned optimizer designs, and find promising improvements over prior methods when optimizing small image classifiers and language models. Our results suggest that learned optimizers can benefit from considering the (symmetry) structure of the weight space they optimize. We open-source our library for constructing UNFs at https://github.com/AllanYangZhou/universal_neural_functional.  ( 2 min )

We introduce Bellman Conformal Inference (BCI), a framework that wraps around any time series forecasting models and provides calibrated prediction intervals. Unlike the existing methods, BCI is able to leverage multi-step ahead forecasts and explicitly optimize the average interval lengths by solving a one-dimensional stochastic control problem (SCP) at each time step. In particular, we use the dynamic programming algorithm to find the optimal policy for the SCP. We prove that BCI achieves long-term coverage under arbitrary distribution shifts and temporal dependence, even with poor multi-step ahead forecasts. We find empirically that BCI avoids uninformative intervals that have infinite lengths and generates substantially shorter prediction intervals on volatility forecasting problems when compared with existing methods.  ( 2 min )

We study inductive bias in Transformers in the infinitely over-parameterized Gaussian process limit and argue transformers tend to be biased towards more permutation symmetric functions in sequence space. We show that the representation theory of the symmetric group can be used to give quantitative analytical predictions when the dataset is symmetric to permutations between tokens. We present a simplified transformer block and solve the model at the limit, including accurate predictions for the learning curves and network outputs. We show that in common setups, one can derive tight bounds in the form of a scaling law for the learnability as a function of the context length. Finally, we argue WikiText dataset, does indeed possess a degree of permutation symmetry.  ( 2 min )

Large language models (LLMs) show inherent brittleness in their safety mechanisms, as evidenced by their susceptibility to jailbreaking and even non-malicious fine-tuning. This study explores this brittleness of safety alignment by leveraging pruning and low-rank modifications. We develop methods to identify critical regions that are vital for safety guardrails, and that are disentangled from utility-relevant regions at both the neuron and rank levels. Surprisingly, the isolated regions we find are sparse, comprising about $3\%$ at the parameter level and $2.5\%$ at the rank level. Removing these regions compromises safety without significantly impacting utility, corroborating the inherent brittleness of the model's safety mechanisms. Moreover, we show that LLMs remain vulnerable to low-cost fine-tuning attacks even when modifications to the safety-critical regions are restricted. These findings underscore the urgent need for more robust safety strategies in LLMs.  ( 2 min )

Neural scaling laws characterize how model performance improves as the model size scales up. Inspired by empirical observations, we introduce a resource model of neural scaling. A task is usually composite hence can be decomposed into many subtasks, which compete for resources (measured by the number of neurons allocated to subtasks). On toy problems, we empirically find that: (1) The loss of a subtask is inversely proportional to its allocated neurons. (2) When multiple subtasks are present in a composite task, the resources acquired by each subtask uniformly grow as models get larger, keeping the ratios of acquired resources constants. We hypothesize these findings to be generally true and build a model to predict neural scaling laws for general composite tasks, which successfully replicates the neural scaling law of Chinchilla models reported in arXiv:2203.15556. We believe that the notion of resource used in this paper will be a useful tool for characterizing and diagnosing neural networks.  ( 2 min )

Reducing traffic accidents is a crucial global public safety concern. Accident prediction is key to improving traffic safety, enabling proactive measures to be taken before a crash occurs, and informing safety policies, regulations, and targeted interventions. Despite numerous studies on accident prediction over the past decades, many have limitations in terms of generalizability, reproducibility, or feasibility for practical use due to input data or problem formulation. To address existing shortcomings, we propose CrashFormer, a multi-modal architecture that utilizes comprehensive (but relatively easy to obtain) inputs such as the history of accidents, weather information, map images, and demographic information. The model predicts the future risk of accidents on a reasonably acceptable cadence (i.e., every six hours) for a geographical location of 5.161 square kilometers. CrashFormer is composed of five components: a sequential encoder to utilize historical accidents and weather data, an image encoder to use map imagery data, a raw data encoder to utilize demographic information, a feature fusion module for aggregating the encoded features, and a classifier that accepts the aggregated data and makes predictions accordingly. Results from extensive real-world experiments in 10 major US cities show that CrashFormer outperforms state-of-the-art sequential and non-sequential models by 1.8% in F1-score on average when using ``sparse'' input data.  ( 3 min )

Accounting for over 20% of the total carbon emissions, the precise estimation of on-road transportation carbon emissions is crucial for carbon emission monitoring and efficient mitigation policy formulation. However, existing estimation methods typically depend on hard-to-collect individual statistics of vehicle miles traveled to calculate emissions, thereby suffering from high data collection difficulty. To relieve this issue by utilizing the strong pattern recognition of artificial intelligence, we incorporate two sources of open data representative of the transportation demand and capacity factors, the origin-destination (OD) flow data and the road network data, to build a hierarchical heterogeneous graph learning method for on-road carbon emission estimation (HENCE). Specifically, a hierarchical graph consisting of the road network level, community level, and region level is constructed to model the multi-scale road network-based connectivity and travel connection between spatial areas. Heterogeneous graphs consisting of OD links and spatial links are further built at both the community level and region level to capture the intrinsic interactions between travel demand and road network accessibility. Extensive experiments on two large-scale real-world datasets demonstrate HENCE's effectiveness and superiority with R-squared exceeding 0.75 and outperforming baselines by 9.60% on average, validating its success in pioneering the use of artificial intelligence to empower carbon emission management and sustainability development. The implementation codes are available at this link: https://github.com/tsinghua-fib-lab/HENCE.  ( 3 min )

Driver intention recognition studies increasingly rely on deep neural networks. Deep neural networks have achieved top performance for many different tasks, but it is not a common practice to explicitly analyse the complexity and performance of the network's architecture. Therefore, this paper applies neural architecture search to investigate the effects of the deep neural network architecture on a real-world safety critical application with limited computational capabilities. We explore a pre-defined search space for three deep neural network layer types that are capable to handle sequential data (a long-short term memory, temporal convolution, and a time-series transformer layer), and the influence of different data fusion strategies on the driver intention recognition performance. A set of eight search strategies are evaluated for two driver intention recognition datasets. For the two datasets, we observed that there is no search strategy clearly sampling better deep neural network architectures. However, performing an architecture search does improve the model performance compared to the original manually designed networks. Furthermore, we observe no relation between increased model complexity and higher driver intention recognition performance. The result indicate that multiple architectures yield similar performance, regardless of the deep neural network layer type or fusion strategy.  ( 2 min )

Action-constrained reinforcement learning (ACRL) is a popular approach for solving safety-critical and resource-allocation related decision making problems. A major challenge in ACRL is to ensure agent taking a valid action satisfying constraints in each RL step. Commonly used approach of using a projection layer on top of the policy network requires solving an optimization program which can result in longer training time, slow convergence, and zero gradient problem. To address this, first we use a normalizing flow model to learn an invertible, differentiable mapping between the feasible action space and the support of a simple distribution on a latent variable, such as Gaussian. Second, learning the flow model requires sampling from the feasible action space, which is also challenging. We develop multiple methods, based on Hamiltonian Monte-Carlo and probabilistic sentential decision diagrams for such action sampling for convex and non-convex constraints. Third, we integrate the learned normalizing flow with the DDPG algorithm. By design, a well-trained normalizing flow will transform policy output into a valid action without requiring an optimization solver. Empirically, our approach results in significantly fewer constraint violations (upto an order-of-magnitude for several instances) and is multiple times faster on a variety of continuous control tasks.  ( 2 min )

Memory-efficient finetuning of large language models (LLMs) has recently attracted huge attention with the increasing size of LLMs, primarily due to the constraints posed by GPU memory limitations and the comparable results of these methods with full finetuning. Despite the advancements, current strategies for memory-efficient finetuning, such as QLoRA, exhibit inconsistent performance across diverse bit-width quantizations and multifaceted tasks. This inconsistency largely stems from the detrimental impact of the quantization process on preserved knowledge, leading to catastrophic forgetting and undermining the utilization of pretrained models for finetuning purposes. In this work, we introduce a novel quantization framework named ApiQ, designed to restore the lost information from quantization by concurrently initializing LoRA components and quantizing the weights of LLMs. This approach ensures the maintenance of the original LLM's activation precision while mitigating the error propagation from shallower into deeper layers. Through comprehensive evaluations conducted on a spectrum of language tasks with various models, ApiQ demonstrably minimizes activation error during quantization. Consequently, it consistently achieves superior finetuning outcomes across various bit-widths of quantization.  ( 2 min )

Deep reinforcement learning (DRL) has shown remarkable success in complex autonomous driving scenarios. However, DRL models inevitably bring high memory consumption and computation, which hinders their wide deployment in resource-limited autonomous driving devices. Structured Pruning has been recognized as a useful method to compress and accelerate DRL models, but it is still challenging to estimate the contribution of a parameter (i.e., neuron) to DRL models. In this paper, we introduce a novel dynamic structured pruning approach that gradually removes a DRL model's unimportant neurons during the training stage. Our method consists of two steps, i.e. training DRL models with a group sparse regularizer and removing unimportant neurons with a dynamic pruning threshold. To efficiently train the DRL model with a small number of important neurons, we employ a neuron-importance group sparse regularizer. In contrast to conventional regularizers, this regularizer imposes a penalty on redundant groups of neurons that do not significantly influence the output of the DRL model. Furthermore, we design a novel structured pruning strategy to dynamically determine the pruning threshold and gradually remove unimportant neurons with a binary mask. Therefore, our method can remove not only redundant groups of neurons of the DRL model but also achieve high and robust performance. Experimental results show that the proposed method is competitive with existing DRL pruning methods on discrete control environments (i.e., CartPole-v1 and LunarLander-v2) and MuJoCo continuous environments (i.e., Hopper-v3 and Walker2D-v3). Specifically, our method effectively compresses $93\%$ neurons and $96\%$ weights of the DRL model in four challenging DRL environments with slight accuracy degradation.  ( 3 min )

We introduce an online mathematical framework for survival analysis, allowing real time adaptation to dynamic environments and censored data. This framework enables the estimation of event time distributions through an optimal second order online convex optimization algorithm-Online Newton Step (ONS). This approach, previously unexplored, presents substantial advantages, including explicit algorithms with non-asymptotic convergence guarantees. Moreover, we analyze the selection of ONS hyperparameters, which depends on the exp-concavity property and has a significant influence on the regret bound. We propose a stochastic approach that guarantees logarithmic stochastic regret for ONS. Additionally, we introduce an adaptive aggregation method that ensures robustness in hyperparameter selection while maintaining fast regret bounds. The findings of this paper can extend beyond the survival analysis field, and are relevant for any case characterized by poor exp-concavity and unstable ONS. Finally, these assertions are illustrated by simulation experiments.  ( 2 min )

Large Language Models (LLMs) have demonstrated remarkable proficiency in understanding and generating natural language. However, their capabilities wane in highly specialized domains underrepresented in the pretraining corpus, such as physical and biomedical sciences. This work explores how to repurpose general LLMs into effective task solvers for specialized domains. We introduce a novel, model-agnostic framework for learning custom input tags, which are parameterized as continuous vectors appended to the LLM's embedding layer, to condition the LLM. We design two types of input tags: domain tags are used to delimit specialized representations (e.g., chemical formulas) and provide domain-relevant context; function tags are used to represent specific functions (e.g., predicting molecular properties) and compress function-solving instructions. We develop a three-stage protocol to learn these tags using auxiliary data and domain knowledge. By explicitly disentangling task domains from task functions, our method enables zero-shot generalization to unseen problems through diverse combinations of the input tags. It also boosts LLM's performance in various specialized domains, such as predicting protein or chemical properties and modeling drug-target interactions, outperforming expert models tailored to these tasks.  ( 2 min )

A Directed Acyclic Graph (DAG) can be partitioned or mapped into clusters to support and make inference more computationally efficient in Bayesian Network (BN), Markov process and other models. However, optimal partitioning with an arbitrary cost function is challenging, especially in statistical inference as the local cluster cost is dependent on both nodes within a cluster, and the mapping of clusters connected via parent and/or child nodes, which we call dependent clusters. We propose a novel algorithm called DCMAP for optimal cluster mapping with dependent clusters. Given an arbitrarily defined, positive cost function based on the DAG, we show that DCMAP converges to find all optimal clusters, and returns near-optimal solutions along the way. Empirically, we find that the algorithm is time-efficient for a Dynamic BN (DBN) model of a seagrass complex system using a computation cost function. For a 25 and 50-node DBN, the search space size was $9.91\times 10^9$ and $1.51\times10^{21}$ possible cluster mappings, and the first optimal solution was found at iteration 934 $(\text{95\% CI } 926,971)$, and 2256 $(2150,2271)$ with a cost that was 4\% and 0.2\% of the naive heuristic cost, respectively.  ( 2 min )

We consider alternating gradient descent (AGD) with fixed step size applied to the asymmetric matrix factorization objective. We show that, for a rank-$r$ matrix $\mathbf{A} \in \mathbb{R}^{m \times n}$, $T = C (\frac{\sigma_1(\mathbf{A})}{\sigma_r(\mathbf{A})})^2 \log(1/\epsilon)$ iterations of alternating gradient descent suffice to reach an $\epsilon$-optimal factorization $\| \mathbf{A} - \mathbf{X} \mathbf{Y}^{T} \|^2 \leq \epsilon \| \mathbf{A}\|^2$ with high probability starting from an atypical random initialization. The factors have rank $d \geq r$ so that $\mathbf{X}_{T}\in\mathbb{R}^{m \times d}$ and $\mathbf{Y}_{T} \in\mathbb{R}^{n \times d}$, and mild overparameterization suffices for the constant $C$ in the iteration complexity $T$ to be an absolute constant. Experiments suggest that our proposed initialization is not merely of theoretical benefit, but rather significantly improves the convergence rate of gradient descent in practice. Our proof is conceptually simple: a uniform Polyak-\L{}ojasiewicz (PL) inequality and uniform Lipschitz smoothness constant are guaranteed for a sufficient number of iterations, starting from our random initialization. Our proof method should be useful for extending and simplifying convergence analyses for a broader class of nonconvex low-rank factorization problems.  ( 2 min )

Objective: Prediction models are popular in medical research and practice. By predicting an outcome of interest for specific patients, these models may help inform difficult treatment decisions, and are often hailed as the poster children for personalized, data-driven healthcare. Many prediction models are deployed for decision support based on their prediction accuracy in validation studies. We investigate whether this is a safe and valid approach. Materials and Methods: We show that using prediction models for decision making can lead to harmful decisions, even when the predictions exhibit good discrimination after deployment. These models are harmful self-fulfilling prophecies: their deployment harms a group of patients but the worse outcome of these patients does not invalidate the predictive power of the model. Results: Our main result is a formal characterization of a set of such prediction models. Next we show that models that are well calibrated before and after deployment are useless for decision making as they made no change in the data distribution. Discussion: Our results point to the need to revise standard practices for validation, deployment and evaluation of prediction models that are used in medical decisions. Conclusion: Outcome prediction models can yield harmful self-fulfilling prophecies when used for decision making, a new perspective on prediction model development, deployment and monitoring is needed.  ( 3 min )

Discovering causal relationships from time series data is significant in fields such as finance, climate science, and neuroscience. However, contemporary techniques rely on the simplifying assumption that data originates from the same causal model, while in practice, data is heterogeneous and can stem from different causal models. In this work, we relax this assumption and perform causal discovery from time series data originating from a mixture of causal models. We propose a general variational inference-based framework called MCD to infer the underlying causal models as well as the mixing probability of each sample. Our approach employs an end-to-end training process that maximizes an evidence-lower bound for the data likelihood. We present two variants: MCD-Linear for linear relationships and independent noise, and MCD-Nonlinear for nonlinear causal relationships and history-dependent noise. We demonstrate that our method surpasses state-of-the-art benchmarks in causal discovery tasks through extensive experimentation on synthetic and real-world datasets, particularly when the data emanates from diverse underlying causal graphs. Theoretically, we prove the identifiability of such a model under some mild assumptions.  ( 2 min )

Contemporary scientific research is a distributed, collaborative endeavor, carried out by teams of researchers, regulatory institutions, funding agencies, commercial partners, and scientific bodies, all interacting with each other and facing different incentives. To maintain scientific rigor, statistical methods should acknowledge this state of affairs. To this end, we study hypothesis testing when there is an agent (e.g., a researcher or a pharmaceutical company) with a private prior about an unknown parameter and a principal (e.g., a policymaker or regulator) who wishes to make decisions based on the parameter value. The agent chooses whether to run a statistical trial based on their private prior and then the result of the trial is used by the principal to reach a decision. We show how the principal can conduct statistical inference that leverages the information that is revealed by an agent's strategic behavior -- their choice to run a trial or not. In particular, we show how the principal can design a policy to elucidate partial information about the agent's private prior beliefs and use this to control the posterior probability of the null. One implication is a simple guideline for the choice of significance threshold in clinical trials: the type-I error level should be set to be strictly less than the cost of the trial divided by the firm's profit if the trial is successful.  ( 2 min )

Diffusion models may be viewed as hierarchical variational autoencoders (VAEs) with two improvements: parameter sharing for the conditional distributions in the generative process and efficient computation of the loss as independent terms over the hierarchy. We consider two changes to the diffusion model that retain these advantages while adding flexibility to the model. Firstly, we introduce a data- and depth-dependent mean function in the diffusion process, which leads to a modified diffusion loss. Our proposed framework, DiffEnc, achieves a statistically significant improvement in likelihood on CIFAR-10. Secondly, we let the ratio of the noise variance of the reverse encoder process and the generative process be a free weight parameter rather than being fixed to 1. This leads to theoretical insights: For a finite depth hierarchy, the evidence lower bound (ELBO) can be used as an objective for a weighted diffusion loss approach and for optimizing the noise schedule specifically for inference. For the infinite-depth hierarchy, on the other hand, the weight parameter has to be 1 to have a well-defined ELBO.  ( 2 min )

We formulate a uniform tail bound for empirical processes indexed by a class of functions, in terms of the individual deviations of the functions rather than the worst-case deviation in the considered class. The tail bound is established by introducing an initial "deflation" step to the standard generic chaining argument. The resulting tail bound is the sum of the complexity of the "deflated function class" in terms of a generalization of Talagrand's $\gamma$ functional, and the deviation of the function instance, both of which are formulated based on the natural seminorm induced by the corresponding Cram\'{e}r functions. We also provide certain approximations for the mentioned seminorm when the function class lies in a given (exponential type) Orlicz space, that can be used to make the complexity term and the deviation term more explicit.  ( 2 min )

Consider a panel data setting where repeated observations on individuals are available. Often it is reasonable to assume that there exist groups of individuals that share similar effects of observed characteristics, but the grouping is typically unknown in advance. We first conduct a local analysis which reveals that the variances of the individual coefficient estimates contain useful information for the estimation of group structure. We then propose a method to estimate unobserved groupings for general panel data models that explicitly account for the variance information. Our proposed method remains computationally feasible with a large number of individuals and/or repeated measurements on each individual. The developed ideas can also be applied even when individual-level data are not available and only parameter estimates together with some quantification of estimation uncertainty are given to the researcher. A thorough simulation study demonstrates superior performance of our method than existing methods and we apply the method to two empirical applications.  ( 2 min )

Differential geometric approaches to the analysis and processing of data in the form of symmetric positive definite (SPD) matrices have had notable successful applications to numerous fields including computer vision, medical imaging, and machine learning. The dominant geometric paradigm for such applications has consisted of a few Riemannian geometries associated with spectral computations that are costly at high scale and in high dimensions. We present a route to a scalable geometric framework for the analysis and processing of SPD-valued data based on the efficient computation of extreme generalized eigenvalues through the Hilbert and Thompson geometries of the semidefinite cone. We explore a particular geodesic space structure based on Thompson geometry in detail and establish several properties associated with this structure. Furthermore, we define a novel iterative mean of SPD matrices based on this geometry and prove its existence and uniqueness for a given finite collection of points. Finally, we state and prove a number of desirable properties that are satisfied by this mean.  ( 2 min )

Misclassification detection is an important problem in machine learning, as it allows for the identification of instances where the model's predictions are unreliable. However, conventional uncertainty measures such as Shannon entropy do not provide an effective way to infer the real uncertainty associated with the model's predictions. In this paper, we introduce a novel data-driven measure of uncertainty relative to an observer for misclassification detection. By learning patterns in the distribution of soft-predictions, our uncertainty measure can identify misclassified samples based on the predicted class probabilities. Interestingly, according to the proposed measure, soft-predictions corresponding to misclassified instances can carry a large amount of uncertainty, even though they may have low Shannon entropy. We demonstrate empirical improvements over multiple image classification tasks, outperforming state-of-the-art misclassification detection methods.  ( 2 min )

Density power divergence (DPD) is designed to robustly estimate the underlying distribution of observations, in the presence of outliers. However, DPD involves an integral of the power of the parametric density models to be estimated; the explicit form of the integral term can be derived only for specific densities, such as normal and exponential densities. While we may perform a numerical integration for each iteration of the optimization algorithms, the computational complexity has hindered the practical application of DPD-based estimation to more general parametric densities. To address the issue, this study introduces a stochastic approach to minimize DPD for general parametric density models. The proposed approach can also be employed to minimize other density power-based $\gamma$-divergences, by leveraging unnormalized models. We provide \verb|R| package for implementation of the proposed approach in \url{https://github.com/oknakfm/sgdpd}.  ( 2 min )

Evidence-based targeting has been a topic of growing interest among the practitioners of policy and business. Formulating decision-maker's policy learning as a fixed-budget best arm identification (BAI) problem with contextual information, we study an optimal adaptive experimental design for policy learning with multiple treatment arms. In the sampling stage, the planner assigns treatment arms adaptively over sequentially arriving experimental units upon observing their contextual information (covariates). After the experiment, the planner recommends an individualized assignment rule to the population. Setting the worst-case expected regret as the performance criterion of adaptive sampling and recommended policies, we derive its asymptotic lower bounds, and propose a strategy, Adaptive Sampling-Policy Learning strategy (PLAS), whose leading factor of the regret upper bound aligns with the lower bound as the size of experimental units increases.  ( 2 min )

The logistic regression model is one of the most popular data generation model in noisy binary classification problems. In this work, we study the sample complexity of estimating the parameters of the logistic regression model up to a given $\ell_2$ error, in terms of the dimension and the inverse temperature, with standard normal covariates. The inverse temperature controls the signal-to-noise ratio of the data generation process. While both generalization bounds and asymptotic performance of the maximum-likelihood estimator for logistic regression are well-studied, the non-asymptotic sample complexity that shows the dependence on error and the inverse temperature for parameter estimation is absent from previous analyses. We show that the sample complexity curve has two change-points in terms of the inverse temperature, clearly separating the low, moderate, and high temperature regimes.  ( 2 min )

Multi-task learning has emerged as a powerful machine learning paradigm for integrating data from multiple sources, leveraging similarities between tasks to improve overall model performance. However, the application of multi-task learning to real-world settings is hindered by data-sharing constraints, especially in healthcare settings. To address this challenge, we propose a flexible multi-task learning framework utilizing summary statistics from various sources. Additionally, we present an adaptive parameter selection approach based on a variant of Lepski's method, allowing for data-driven tuning parameter selection when only summary statistics are available. Our systematic non-asymptotic analysis characterizes the performance of the proposed methods under various regimes of the sample complexity and overlap. We demonstrate our theoretical findings and the performance of the method through extensive simulations. This work offers a more flexible tool for training related models across various domains, with practical implications in genetic risk prediction and many other fields.  ( 2 min )

We expound on some known lower bounds of the quadratic Wasserstein distance between random vectors in $\mathbb{R}^n$ with an emphasis on affine transformations that have been used in manifold learning of data in Wasserstein space. In particular, we give concrete lower bounds for rotated copies of random vectors in $\mathbb{R}^2$ by computing the Bures metric between the covariance matrices. We also derive upper bounds for compositions of affine maps which yield a fruitful variety of diffeomorphisms applied to an initial data measure. We apply these bounds to various distributions including those lying on a 1-dimensional manifold in $\mathbb{R}^2$ and illustrate the quality of the bounds. Finally, we give a framework for mimicking handwritten digit or alphabet datasets that can be applied in a manifold learning framework.  ( 2 min )

The ability of an agent to do well in new environments is a critical aspect of intelligence. In machine learning, this ability is known as $\textit{strong}$ or $\textit{out-of-distribution}$ generalization. However, merely considering differences in data distributions is inadequate for fully capturing differences between learning environments. In the present paper, we investigate $\textit{out-of-variable}$ generalization, which pertains to an agent's generalization capabilities concerning environments with variables that were never jointly observed before. This skill closely reflects the process of animate learning: we, too, explore Nature by probing, observing, and measuring $\textit{subsets}$ of variables at any given time. Mathematically, $\textit{out-of-variable}$ generalization requires the efficient re-use of past marginal information, i.e., information over subsets of previously observed variables. We study this problem, focusing on prediction tasks across environments that contain overlapping, yet distinct, sets of causes. We show that after fitting a classifier, the residual distribution in one environment reveals the partial derivative of the true generating function with respect to the unobserved causal parent in that environment. We leverage this information and propose a method that exhibits non-trivial out-of-variable generalization performance when facing an overlapping, yet distinct, set of causal predictors.  ( 2 min )

In credit markets, screening algorithms aim to discriminate between good-type and bad-type borrowers. However, when doing so, they can also discriminate between individuals sharing a protected attribute (e.g. gender, age, racial origin) and the rest of the population. This can be unintentional and originate from the training dataset or from the model itself. We show how to formally test the algorithmic fairness of scoring models and how to identify the variables responsible for any lack of fairness. We then use these variables to optimize the fairness-performance trade-off. Our framework provides guidance on how algorithmic fairness can be monitored by lenders, controlled by their regulators, improved for the benefit of protected groups, while still maintaining a high level of forecasting accuracy.  ( 2 min )

Critical decisions like hiring, college admissions, and loan approvals are guided by predictions made in the presence of uncertainty. While uncertainty imparts errors across all demographic groups, this paper shows that the types of errors vary systematically: Groups with higher average outcomes are typically assigned higher false positive rates, while those with lower average outcomes are assigned higher false negative rates. We characterize the conditions that give rise to this disparate impact and explain why the intuitive remedy to omit demographic variables from datasets does not correct it. Instead of data omission, this paper examines how data enrichment can broaden access to opportunity. The strategy, which we call "Affirmative Information," could stand as an alternative to Affirmative Action.  ( 2 min )

The success of deep learning comes at a tremendous computational and energy cost, and the scalability of training massively overparametrized neural networks is becoming a real barrier to the progress of artificial intelligence (AI). Despite the popularity and low cost-per-iteration of traditional backpropagation via gradient decent, stochastic gradient descent (SGD) has prohibitive convergence rate in non-convex settings, both in theory and practice. To mitigate this cost, recent works have proposed to employ alternative (Newton-type) training methods with much faster convergence rate, albeit with higher cost-per-iteration. For a typical neural network with $m=\mathrm{poly}(n)$ parameters and input batch of $n$ datapoints in $\mathbb{R}^d$, the previous work of [Brand, Peng, Song, and Weinstein, ITCS'2021] requires $\sim mnd + n^3$ time per iteration. In this paper, we present a novel training method that requires only $m^{1-\alpha} n d + n^3$ amortized time in the same overparametrized regime, where $\alpha \in (0.01,1)$ is some fixed constant. This method relies on a new and alternative view of neural networks, as a set of binary search trees, where each iteration corresponds to modifying a small subset of the nodes in the tree. We believe this view would have further applications in the design and analysis of deep neural networks (DNNs).  ( 2 min )

Natural policy gradient (NPG) methods with entropy regularization achieve impressive empirical success in reinforcement learning problems with large state-action spaces. However, their convergence properties and the impact of entropy regularization remain elusive in the function approximation regime. In this paper, we establish finite-time convergence analyses of entropy-regularized NPG with linear function approximation under softmax parameterization. In particular, we prove that entropy-regularized NPG with averaging satisfies the \emph{persistence of excitation} condition, and achieves a fast convergence rate of $\tilde{O}(1/T)$ up to a function approximation error in regularized Markov decision processes. This convergence result does not require any a priori assumptions on the policies. Furthermore, under mild regularity conditions on the concentrability coefficient and basis vectors, we prove that entropy-regularized NPG exhibits \emph{linear convergence} up to a function approximation error.  ( 2 min )

We provide a theoretical framework for Reinforcement Learning with Human Feedback (RLHF). Our analysis shows that when the true reward function is linear, the widely used maximum likelihood estimator (MLE) converges under both the Bradley-Terry-Luce (BTL) model and the Plackett-Luce (PL) model. However, we show that when training a policy based on the learned reward model, MLE fails while a pessimistic MLE provides policies with improved performance under certain coverage assumptions. Additionally, we demonstrate that under the PL model, the true MLE and an alternative MLE that splits the $K$-wise comparison into pairwise comparisons both converge. Moreover, the true MLE is asymptotically more efficient. Our results validate the empirical success of existing RLHF algorithms in InstructGPT and provide new insights for algorithm design. Furthermore, our results unify the problem of RLHF and max-entropy Inverse Reinforcement Learning (IRL), and provide the first sample complexity bound for max-entropy IRL.  ( 2 min )

In this paper, we tackle a significant challenge in PCA: heterogeneity. When data are collected from different sources with heterogeneous trends while still sharing some congruency, it is critical to extract shared knowledge while retaining the unique features of each source. To this end, we propose personalized PCA (PerPCA), which uses mutually orthogonal global and local principal components to encode both unique and shared features. We show that, under mild conditions, both unique and shared features can be identified and recovered by a constrained optimization problem, even if the covariance matrices are immensely different. Also, we design a fully federated algorithm inspired by distributed Stiefel gradient descent to solve the problem. The algorithm introduces a new group of operations called generalized retractions to handle orthogonality constraints, and only requires global PCs to be shared across sources. We prove the linear convergence of the algorithm under suitable assumptions. Comprehensive numerical experiments highlight PerPCA's superior performance in feature extraction and prediction from heterogeneous datasets. As a systematic approach to decouple shared and unique features from heterogeneous datasets, PerPCA finds applications in several tasks, including video segmentation, topic extraction, and feature clustering.  ( 2 min )

In reinforcement learning, temporal abstraction in the action space, exemplified by action repetition, is a technique to facilitate policy learning through extended actions. However, a primary limitation in previous studies of action repetition is its potential to degrade performance, particularly when sub-optimal actions are repeated. This issue often negates the advantages of action repetition. To address this, we propose a novel algorithm named Uncertainty-aware Temporal Extension (UTE). UTE employs ensemble methods to accurately measure uncertainty during action extension. This feature allows policies to strategically choose between emphasizing exploration or adopting an uncertainty-averse approach, tailored to their specific needs. We demonstrate the effectiveness of UTE through experiments in Gridworld and Atari 2600 environments. Our findings show that UTE outperforms existing action repetition algorithms, effectively mitigating their inherent limitations and significantly enhancing policy learning efficiency.  ( 2 min )

This paper addresses the multiple two-sample test problem in a graph-structured setting, which is a common scenario in fields such as Spatial Statistics and Neuroscience. Each node $v$ in fixed graph deals with a two-sample testing problem between two node-specific probability density functions (pdfs), $p_v$ and $q_v$. The goal is to identify nodes where the null hypothesis $p_v = q_v$ should be rejected, under the assumption that connected nodes would yield similar test outcomes. We propose the non-parametric collaborative two-sample testing (CTST) framework that efficiently leverages the graph structure and minimizes the assumptions over $p_v$ and $q_v$. Our methodology integrates elements from f-divergence estimation, Kernel Methods, and Multitask Learning. We use synthetic experiments and a real sensor network detecting seismic activity to demonstrate that CTST outperforms state-of-the-art non-parametric statistical tests that apply at each node independently, hence disregard the geometry of the problem.  ( 2 min )

Self-attention, the core mechanism of transformers, distinguishes them from traditional neural networks and drives their outstanding performance. Towards developing the fundamental optimization principles of self-attention, we investigate the implicit bias of gradient descent (GD) in training a self-attention layer with fixed linear decoder in binary classification. Drawing inspiration from the study of GD in linear logistic regression over separable data, recent work demonstrates that as the number of iterations $t$ approaches infinity, the key-query matrix $W_t$ converges locally (with respect to the initialization direction) to a hard-margin SVM solution $W_{mm}$. Our work enhances this result in four aspects. Firstly, we identify non-trivial data settings for which convergence is provably global, thus shedding light on the optimization landscape. Secondly, we provide the first finite-time convergence rate for $W_t$ to $W_{mm}$, along with quantifying the rate of sparsification in the attention map. Thirdly, through an analysis of normalized GD and Polyak step-size, we demonstrate analytically that adaptive step-size rules can accelerate the convergence of self-attention. Additionally, we remove the restriction of prior work on a fixed linear decoder. Our results reinforce the implicit-bias perspective of self-attention and strengthen its connections to implicit-bias in linear logistic regression, despite the intricate non-convex nature of the former.  ( 2 min )

Offline reinforcement learning (RL), which seeks to learn an optimal policy using offline data, has garnered significant interest due to its potential in critical applications where online data collection is infeasible or expensive. This work explores the benefit of federated learning for offline RL, aiming at collaboratively leveraging offline datasets at multiple agents. Focusing on finite-horizon episodic tabular Markov decision processes (MDPs), we design FedLCB-Q, a variant of the popular model-free Q-learning algorithm tailored for federated offline RL. FedLCB-Q updates local Q-functions at agents with novel learning rate schedules and aggregates them at a central server using importance averaging and a carefully designed pessimistic penalty term. Our sample complexity analysis reveals that, with appropriately chosen parameters and synchronization schedules, FedLCB-Q achieves linear speedup in terms of the number of agents without requiring high-quality datasets at individual agents, as long as the local datasets collectively cover the state-action space visited by the optimal policy, highlighting the power of collaboration in the federated setting. In fact, the sample complexity almost matches that of the single-agent counterpart, as if all the data are stored at a central location, up to polynomial factors of the horizon length. Furthermore, FedLCB-Q is communication-efficient, where the number of communication rounds is only linear with respect to the horizon length up to logarithmic factors.  ( 2 min )

It might seem counter-intuitive at first: We find that, in expectation, the proportion of data points in an unknown population-that belong to classes that do not appear in the training data-is almost entirely determined by the number $f_k$ of classes that do appear in the training data the same number of times. While in theory we show that the difference of the induced estimator decays exponentially in the size of the sample, in practice the high variance prevents us from using it directly for an estimator of the sample coverage. However, our precise characterization of the dependency between $f_k$'s induces a large search space of different representations of the expected value, which can be deterministically instantiated as estimators. Hence, we turn to optimization and develop a genetic algorithm that, given only the sample, searches for an estimator with minimal mean-squared error (MSE). In our experiments, our genetic algorithm discovers estimators that have a substantially smaller MSE than the state-of-the-art Good-Turing estimator. This holds for over 96% of runs when there are at least as many samples as classes. Our estimators' MSE is roughly 80% of the Good-Turing estimator's.  ( 2 min )

In this work, we study statistical learning with dependent ($\beta$-mixing) data and square loss in a hypothesis class $\mathscr{F}\subset L_{\Psi_p}$ where $\Psi_p$ is the norm $\|f\|_{\Psi_p} \triangleq \sup_{m\geq 1} m^{-1/p} \|f\|_{L^m} $ for some $p\in [2,\infty]$. Our inquiry is motivated by the search for a sharp noise interaction term, or variance proxy, in learning with dependent data. Absent any realizability assumption, typical non-asymptotic results exhibit variance proxies that are deflated \emph{multiplicatively} by the mixing time of the underlying covariates process. We show that whenever the topologies of $L^2$ and $\Psi_p$ are comparable on our hypothesis class $\mathscr{F}$ -- that is, $\mathscr{F}$ is a weakly sub-Gaussian class: $\|f\|_{\Psi_p} \lesssim \|f\|_{L^2}^\eta$ for some $\eta\in (0,1]$ -- the empirical risk minimizer achieves a rate that only depends on the complexity of the class and second order statistics in its leading term. Our result holds whether the problem is realizable or not and we refer to this as a \emph{near mixing-free rate}, since direct dependence on mixing is relegated to an additive higher order term. We arrive at our result by combining the above notion of a weakly sub-Gaussian class with mixed tail generic chaining. This combination allows us to compute sharp, instance-optimal rates for a wide range of problems. %Our approach, reliant on mixed tail generic chaining, allows us to obtain sharp, instance-optimal rates. Examples that satisfy our framework include sub-Gaussian linear regression, more general smoothly parameterized function classes, finite hypothesis classes, and bounded smoothness classes.  ( 3 min )

Longitudinal data are important in numerous fields, such as healthcare, sociology and seismology, but real-world datasets present notable challenges for practitioners because they can be high-dimensional, contain structured missingness patterns, and measurement time points can be governed by an unknown stochastic process. While various solutions have been suggested, the majority of them have been designed to account for only one of these challenges. In this work, we propose a flexible and efficient latent-variable model that is capable of addressing all these limitations. Our approach utilizes Gaussian processes to capture temporal correlations between samples and their associated missingness masks as well as to model the underlying point process. We construct our model as a variational autoencoder together with deep neural network parameterised encoder and decoder models, and develop a scalable amortised variational inference approach for efficient model training. We demonstrate competitive performance using both simulated and real datasets.  ( 2 min )

How can we best encode structured data into sequential form for use in large language models (LLMs)? In this work, we introduce a parameter-efficient method to explicitly represent structured data for LLMs. Our method, GraphToken, learns an encoding function to extend prompts with explicit structured information. Unlike other work which focuses on limited domains (e.g. knowledge graph representation), our work is the first effort focused on the general encoding of structured data to be used for various reasoning tasks. We show that explicitly representing the graph structure allows significant improvements to graph reasoning tasks. Specifically, we see across the board improvements - up to 73% points - on node, edge and, graph-level tasks from the GraphQA benchmark.  ( 2 min )

A pivotal aspect in the design of neural networks lies in selecting activation functions, crucial for introducing nonlinear structures that capture intricate input-output patterns. While the effectiveness of adaptive or trainable activation functions has been studied in domains with ample data, like image classification problems, significant gaps persist in understanding their influence on classification accuracy and predictive uncertainty in settings characterized by limited data availability. This research aims to address these gaps by investigating the use of two types of adaptive activation functions. These functions incorporate shared and individual trainable parameters per hidden layer and are examined in three testbeds derived from additive manufacturing problems containing fewer than one hundred training instances. Our investigation reveals that adaptive activation functions, such as Exponential Linear Unit (ELU) and Softplus, with individual trainable parameters, result in accurate and confident prediction models that outperform fixed-shape activation functions and the less flexible method of using identical trainable activation functions in a hidden layer. Therefore, this work presents an elegant way of facilitating the design of adaptive neural networks in scientific and engineering problems.  ( 2 min )

Insufficiently precise diagnosis of clinical disease is likely responsible for many treatment failures, even for common conditions and treatments. With a large enough dataset, it may be possible to use unsupervised machine learning to define clinical disease patterns more precisely. We present an approach to learning these patterns by using probabilistic independence to disentangle the imprint on the medical record of causal latent sources of disease. We inferred a broad set of 2000 clinical signatures of latent sources from 9195 variables in 269,099 Electronic Health Records. The learned signatures produced better discrimination than the original variables in a lung cancer prediction task unknown to the inference algorithm, predicting 3-year malignancy in patients with no history of cancer before a solitary lung nodule was discovered. More importantly, the signatures' greater explanatory power identified pre-nodule signatures of apparently undiagnosed cancer in many of those patients.  ( 2 min )

The Fisher information matrix characterizes the local geometry in the parameter space of neural networks. It elucidates insightful theories and useful tools to understand and optimize neural networks. Given its high computational cost, practitioners often use random estimators and evaluate only the diagonal entries. We examine two such estimators, whose accuracy and sample complexity depend on their associated variances. We derive bounds of the variances and instantiate them in regression and classification networks. We navigate trade-offs of both estimators based on analytical and numerical studies. We find that the variance quantities depend on the non-linearity with respect to different parameter groups and should not be neglected when estimating the Fisher information.  ( 2 min )

Hypergraphs, with hyperedges connecting more than two nodes, are key for modelling higher-order interactions in real-world data. The success of graph neural networks (GNNs) reveals the capability of neural networks to process data with pairwise interactions. This inspires the usage of neural networks for data with higher-order interactions, thereby leading to the development of hypergraph neural networks (HyperGNNs). GNNs and HyperGNNs are typically considered distinct since they are designed for data on different geometric topologies. However, in this paper, we theoretically demonstrate that, in the context of node classification, most HyperGNNs can be approximated using a GNN with a weighted clique expansion of the hypergraph. This leads to WCE-GNN, a simple and efficient framework comprising a GNN and a weighted clique expansion (WCE), for hypergraph node classification. Experiments on nine real-world hypergraph node classification benchmarks showcase that WCE-GNN demonstrates not only higher classification accuracy compared to state-of-the-art HyperGNNs, but also superior memory and runtime efficiency.  ( 2 min )

We study the sample complexity of reinforcement learning (RL) in Mean-Field Games (MFGs) with model-based function approximation that requires strategic exploration to find a Nash Equilibrium policy. We introduce the Partial Model-Based Eluder Dimension (P-MBED), a more effective notion to characterize the model class complexity. Notably, P-MBED measures the complexity of the single-agent model class converted from the given mean-field model class, and potentially, can be exponentially lower than the MBED proposed by \citet{huang2023statistical}. We contribute a model elimination algorithm featuring a novel exploration strategy and establish sample complexity results polynomial w.r.t.~P-MBED. Crucially, our results reveal that, under the basic realizability and Lipschitz continuity assumptions, \emph{learning Nash Equilibrium in MFGs is no more statistically challenging than solving a logarithmic number of single-agent RL problems}. We further extend our results to Multi-Type MFGs, generalizing from conventional MFGs and involving multiple types of agents. This extension implies statistical tractability of a broader class of Markov Games through the efficacy of mean-field approximation. Finally, inspired by our theoretical algorithm, we present a heuristic approach with improved computational efficiency and empirically demonstrate its effectiveness.  ( 2 min )

In many classification applications, the prediction of a deep neural network (DNN) based classifier needs to be accompanied with some confidence indication. Two popular post-processing approaches for that aim are: 1) calibration: modifying the classifier's softmax values such that their maximum (associated with the prediction) better estimates the correctness probability; and 2) conformal prediction (CP): devising a score (based on the softmax values) from which a set of predictions with theoretically guaranteed marginal coverage of the correct class is produced. While in practice both types of indications can be desired, so far the interplay between them has not been investigated. Toward filling this gap, in this paper we study the effect of temperature scaling, arguably the most common calibration technique, on prominent CP methods. We start with an extensive empirical study that among other insights shows that, surprisingly, calibration has a detrimental effect on popular adaptive CP methods: it frequently leads to larger prediction sets. Then, we turn to theoretically analyze this behavior. We reveal several mathematical properties of the procedure, according to which we provide a reasoning for the phenomenon. Our study suggests that it may be worthwhile to utilize adaptive CP methods, chosen for their enhanced conditional coverage, based on softmax values prior to (or after canceling) temperature scaling calibration.  ( 2 min )

We consider the problem of detecting a planted clique of size $k$ in a random graph on $n$ vertices. When the size of the clique exceeds $\Theta(\sqrt{n})$, polynomial-time algorithms for detection proliferate. We study faster -- namely, sublinear time -- algorithms in the high-signal regime when $k = \Theta(n^{1/2 + \delta})$, for some $\delta > 0$. To this end, we consider algorithms that non-adaptively query a subset $M$ of entries of the adjacency matrix and then compute a low-degree polynomial function of the revealed entries. We prove a computational phase transition for this class of non-adaptive low-degree algorithms: under the scaling $\lvert M \rvert = \Theta(n^{\gamma})$, the clique can be detected when $\gamma > 3(1/2 - \delta)$ but not when $\gamma < 3(1/2 - \delta)$. As a result, the best known runtime for detecting a planted clique, $\widetilde{O}(n^{3(1/2-\delta)})$, cannot be improved without looking beyond the non-adaptive low-degree class. Our proof of the lower bound -- based on bounding the conditional low-degree likelihood ratio -- reveals further structure in non-adaptive detection of a planted clique. Using (a bound on) the conditional low-degree likelihood ratio as a potential function, we show that for every non-adaptive query pattern, there is a highly structured query pattern of the same size that is at least as effective.  ( 2 min )

We address offline reinforcement learning with privacy guarantees, where the goal is to train a policy that is differentially private with respect to individual trajectories in the dataset. To achieve this, we introduce DP-MORL, an MBRL algorithm coming with differential privacy guarantees. A private model of the environment is first learned from offline data using DP-FedAvg, a training method for neural networks that provides differential privacy guarantees at the trajectory level. Then, we use model-based policy optimization to derive a policy from the (penalized) private model, without any further interaction with the system or access to the input data. We empirically show that DP-MORL enables the training of private RL agents from offline data and we furthermore outline the price of privacy in this setting.  ( 2 min )

We introduce Bellman Conformal Inference (BCI), a framework that wraps around any time series forecasting models and provides calibrated prediction intervals. Unlike the existing methods, BCI is able to leverage multi-step ahead forecasts and explicitly optimize the average interval lengths by solving a one-dimensional stochastic control problem (SCP) at each time step. In particular, we use the dynamic programming algorithm to find the optimal policy for the SCP. We prove that BCI achieves long-term coverage under arbitrary distribution shifts and temporal dependence, even with poor multi-step ahead forecasts. We find empirically that BCI avoids uninformative intervals that have infinite lengths and generates substantially shorter prediction intervals on volatility forecasting problems when compared with existing methods.  ( 2 min )

Recent progress in studying \emph{treelike committee machines} (TCM) neural networks (NN) in \cite{Stojnictcmspnncaprdt23,Stojnictcmspnncapliftedrdt23,Stojnictcmspnncapdiffactrdt23} showed that the Random Duality Theory (RDT) and its a \emph{partially lifted}(pl RDT) variant are powerful tools that can be used for very precise networks capacity analysis. Here, we consider \emph{wide} hidden layer networks and uncover that certain aspects of numerical difficulties faced in \cite{Stojnictcmspnncapdiffactrdt23} miraculously disappear. In particular, we employ recently developed \emph{fully lifted} (fl) RDT to characterize the \emph{wide} ($d\rightarrow \infty$) TCM nets capacity. We obtain explicit, closed form, capacity characterizations for a very generic class of the hidden layer activations. While the utilized approach significantly lowers the amount of the needed numerical evaluations, the ultimate fl RDT usefulness and success still require a solid portion of the residual numerical work. To get the concrete capacity values, we take four very famous activations examples: \emph{\textbf{ReLU}}, \textbf{\emph{quadratic}}, \textbf{\emph{erf}}, and \textbf{\emph{tanh}}. After successfully conducting all the residual numerical work for all of them, we uncover that the whole lifting mechanism exhibits a remarkably rapid convergence with the relative improvements no better than $\sim 0.1\%$ happening already on the 3-rd level of lifting. As a convenient bonus, we also uncover that the capacity characterizations obtained on the first and second level of lifting precisely match those obtained through the statistical physics replica theory methods in \cite{ZavPeh21} for the generic and in \cite{BalMalZech19} for the ReLU activations.  ( 3 min )

Diffusion models have enabled remarkably high-quality medical image generation, which can help mitigate the expenses of acquiring and annotating new images by supplementing small or imbalanced datasets, along with other applications. However, these are hampered by the challenge of enforcing global anatomical realism in generated images. To this end, we propose a diffusion model for anatomically-controlled medical image generation. Our model follows a multi-class anatomical segmentation mask at each sampling step and incorporates a \textit{random mask ablation} training algorithm, to enable conditioning on a selected combination of anatomical constraints while allowing flexibility in other anatomical areas. This also improves the network's learning of anatomical realism for the completely unconditional (unconstrained generation) case. Comparative evaluation on breast MRI and abdominal/neck-to-pelvis CT datasets demonstrates superior anatomical realism and input mask faithfulness over state-of-the-art models. We also offer an accessible codebase and release a dataset of generated paired breast MRIs. Our approach facilitates diverse applications, including pre-registered image generation, counterfactual scenarios, and others.  ( 2 min )

We study inductive bias in Transformers in the infinitely over-parameterized Gaussian process limit and argue transformers tend to be biased towards more permutation symmetric functions in sequence space. We show that the representation theory of the symmetric group can be used to give quantitative analytical predictions when the dataset is symmetric to permutations between tokens. We present a simplified transformer block and solve the model at the limit, including accurate predictions for the learning curves and network outputs. We show that in common setups, one can derive tight bounds in the form of a scaling law for the learnability as a function of the context length. Finally, we argue WikiText dataset, does indeed possess a degree of permutation symmetry.  ( 2 min )

Transformers have achieved state-of-the-art performance in language modeling tasks. However, the reasons behind their tremendous success are still unclear. In this paper, towards a better understanding, we train a Transformer model on a simple next token prediction task, where sequences are generated as a first-order autoregressive process $s_{t+1} = W s_t$. We show how a trained Transformer predicts the next token by first learning $W$ in-context, then applying a prediction mapping. We call the resulting procedure in-context autoregressive learning. More precisely, focusing on commuting orthogonal matrices $W$, we first show that a trained one-layer linear Transformer implements one step of gradient descent for the minimization of an inner objective function, when considering augmented tokens. When the tokens are not augmented, we characterize the global minima of a one-layer diagonal linear multi-head Transformer. Importantly, we exhibit orthogonality between heads and show that positional encoding captures trigonometric relations in the data. On the experimental side, we consider the general case of non-commuting orthogonal matrices and generalize our theoretical findings.  ( 2 min )

We introduce an online mathematical framework for survival analysis, allowing real time adaptation to dynamic environments and censored data. This framework enables the estimation of event time distributions through an optimal second order online convex optimization algorithm-Online Newton Step (ONS). This approach, previously unexplored, presents substantial advantages, including explicit algorithms with non-asymptotic convergence guarantees. Moreover, we analyze the selection of ONS hyperparameters, which depends on the exp-concavity property and has a significant influence on the regret bound. We propose a stochastic approach that guarantees logarithmic stochastic regret for ONS. Additionally, we introduce an adaptive aggregation method that ensures robustness in hyperparameter selection while maintaining fast regret bounds. The findings of this paper can extend beyond the survival analysis field, and are relevant for any case characterized by poor exp-concavity and unstable ONS. Finally, these assertions are illustrated by simulation experiments.  ( 2 min )

We consider the capacity of \emph{treelike committee machines} (TCM) neural networks. Relying on Random Duality Theory (RDT), \cite{Stojnictcmspnncaprdt23} recently introduced a generic framework for their capacity analysis. An upgrade based on the so-called \emph{partially lifted} RDT (pl RDT) was then presented in \cite{Stojnictcmspnncapliftedrdt23}. Both lines of work focused on the networks with the most typical, \emph{sign}, activations. Here, on the other hand, we focus on networks with other, more general, types of activations and show that the frameworks of \cite{Stojnictcmspnncaprdt23,Stojnictcmspnncapliftedrdt23} are sufficiently powerful to enable handling of such scenarios as well. In addition to the standard \emph{linear} activations, we uncover that particularly convenient results can be obtained for two very commonly used activations, namely, the \emph{quadratic} and \emph{rectified linear unit (ReLU)} ones. In more concrete terms, for each of these activations, we obtain both the RDT and pl RDT based memory capacities upper bound characterization for \emph{any} given (even) number of the hidden layer neurons, $d$. In the process, we also uncover the following two, rather remarkable, facts: 1) contrary to the common wisdom, both sets of results show that the bounding capacity decreases for large $d$ (the width of the hidden layer) while converging to a constant value; and 2) the maximum bounding capacity is achieved for the networks with precisely \textbf{\emph{two}} hidden layer neurons! Moreover, the large $d$ converging values are observed to be in excellent agrement with the statistical physics replica theory based predictions.  ( 3 min )

We study the problem of Bayesian fixed-budget best-arm identification (BAI) in structured bandits. We propose an algorithm that uses fixed allocations based on the prior information and the structure of the environment. We provide theoretical bounds on its performance across diverse models, including the first prior-dependent upper bounds for linear and hierarchical BAI. Our key contribution is introducing new proof methods that result in tighter bounds for multi-armed BAI compared to existing methods. We extensively compare our approach to other fixed-budget BAI methods, demonstrating its consistent and robust performance in various settings. Our work improves our understanding of Bayesian fixed-budget BAI in structured bandits and highlights the effectiveness of our approach in practical scenarios.  ( 2 min )

Information theoretic quantities play a central role in machine learning. The recent surge in the complexity of data and models has increased the demand for accurate estimation of these quantities. However, as the dimension grows the estimation presents significant challenges, with existing methods struggling already in relatively low dimensions. To address this issue, in this work, we introduce $\texttt{REMEDI}$ for efficient and accurate estimation of differential entropy, a fundamental information theoretic quantity. The approach combines the minimization of the cross-entropy for simple, adaptive base models and the estimation of their deviation, in terms of the relative entropy, from the data density. Our approach demonstrates improvement across a broad spectrum of estimation tasks, encompassing entropy estimation on both synthetic and natural data. Further, we extend important theoretical consistency results to a more generalized setting required by our approach. We illustrate how the framework can be naturally extended to information theoretic supervised learning models, with a specific focus on the Information Bottleneck approach. It is demonstrated that the method delivers better accuracy compared to the existing methods in Information Bottleneck. In addition, we explore a natural connection between $\texttt{REMEDI}$ and generative modeling using rejection sampling and Langevin dynamics.  ( 2 min )

This paper proposes SAGD-IV, a novel framework for conducting nonparametric instrumental variable (NPIV) regression by employing stochastic approximate gradients to minimize the projected populational risk. Instrumental Variables (IVs) are widely used in econometrics to address estimation problems in the presence of unobservable confounders, and the Machine Learning community has devoted significant effort to improving existing methods and devising new ones in the NPIV setting, which is known to be an ill-posed linear inverse problem. We provide theoretical support for our algorithm and further exemplify its competitive performance through empirical experiments. Furthermore, we address, with promising results, the case of binary outcomes, which has not received as much attention from the community as its continuous counterpart.  ( 2 min )

An open scientific challenge is how to classify events with reliable measures of uncertainty, when we have a mechanistic model of the data-generating process but the distribution over both labels and latent nuisance parameters is different between train and target data. We refer to this type of distributional shift as generalized label shift (GLS). Direct classification using observed data $\mathbf{X}$ as covariates leads to biased predictions and invalid uncertainty estimates of labels $Y$. We overcome these biases by proposing a new method for robust uncertainty quantification that casts classification as a hypothesis testing problem under nuisance parameters. The key idea is to estimate the classifier's receiver operating characteristic (ROC) across the entire nuisance parameter space, which allows us to devise cutoffs that are invariant under GLS. Our method effectively endows a pre-trained classifier with domain adaptation capabilities and returns valid prediction sets while maintaining high power. We demonstrate its performance on two challenging scientific problems in biology and astroparticle physics with data from realistic mechanistic models.  ( 2 min )

Understanding the mechanisms through which neural networks extract statistics from input-label pairs is one of the most important unsolved problems in supervised learning. Prior works have identified that the gram matrices of the weights in trained neural networks of general architectures are proportional to the average gradient outer product of the model, in a statement known as the Neural Feature Ansatz (NFA). However, the reason these quantities become correlated during training is poorly understood. In this work, we explain the emergence of this correlation. We identify that the NFA is equivalent to alignment between the left singular structure of the weight matrices and a significant component of the empirical neural tangent kernels associated with those weights. We establish that the NFA introduced in prior works is driven by a centered NFA that isolates this alignment. We show that the speed of NFA development can be predicted analytically at early training times in terms of simple statistics of the inputs and labels. Finally, we introduce a simple intervention to increase NFA correlation at any given layer, which dramatically improves the quality of features learned.  ( 2 min )

We consider the parameter estimation problem in the deviated Gaussian mixture of experts in which the data are generated from $(1 - \lambda^{\ast}) g_0(Y| X)+ \lambda^{\ast} \sum_{i = 1}^{k_{\ast}} p_{i}^{\ast} f(Y|(a_{i}^{\ast})^{\top}X+b_i^{\ast},\sigma_{i}^{\ast})$, where $X, Y$ are respectively a covariate vector and a response variable, $g_{0}(Y|X)$ is a known function, $\lambda^{\ast} \in [0, 1]$ is true but unknown mixing proportion, and $(p_{i}^{\ast}, a_{i}^{\ast}, b_{i}^{\ast}, \sigma_{i}^{\ast})$ for $1 \leq i \leq k^{\ast}$ are unknown parameters of the Gaussian mixture of experts. This problem arises from the goodness-of-fit test when we would like to test whether the data are generated from $g_{0}(Y|X)$ (null hypothesis) or they are generated from the whole mixture (alternative hypothesis). Based on the algebraic structure of the expert functions and the distinguishability between $g_0$ and the mixture part, we construct novel Voronoi-based loss functions to capture the convergence rates of maximum likelihood estimation (MLE) for our models. We further demonstrate that our proposed loss functions characterize the local convergence rates of parameter estimation more accurately than the generalized Wasserstein, a loss function being commonly used for estimating parameters in the Gaussian mixture of experts.  ( 2 min )

Policy Mirror Descent (PMD) is a popular framework in reinforcement learning, serving as a unifying perspective that encompasses numerous algorithms. These algorithms are derived through the selection of a mirror map and enjoy finite-time convergence guarantees. Despite its popularity, the exploration of PMD's full potential is limited, with the majority of research focusing on a particular mirror map -- namely, the negative entropy -- which gives rise to the renowned Natural Policy Gradient (NPG) method. It remains uncertain from existing theoretical studies whether the choice of mirror map significantly influences PMD's efficacy. In our work, we conduct empirical investigations to show that the conventional mirror map choice (NPG) often yields less-than-optimal outcomes across several standard benchmark environments. By applying a meta-learning approach, we identify more efficient mirror maps that enhance performance, both on average and in terms of best performance achieved along the training trajectory. We analyze the characteristics of these learned mirror maps and reveal shared traits among certain settings. Our results suggest that mirror maps have the potential to be adaptable across various environments, raising questions about how to best match a mirror map to an environment's structure and characteristics.  ( 2 min )

This work investigates adversarial training in the context of margin-based linear classifiers in the high-dimensional regime where the dimension $d$ and the number of data points $n$ diverge with a fixed ratio $\alpha = n / d$. We introduce a tractable mathematical model where the interplay between the data and adversarial attacker geometries can be studied, while capturing the core phenomenology observed in the adversarial robustness literature. Our main theoretical contribution is an exact asymptotic description of the sufficient statistics for the adversarial empirical risk minimiser, under generic convex and non-increasing losses. Our result allow us to precisely characterise which directions in the data are associated with a higher generalisation/robustness trade-off, as defined by a robustness and a usefulness metric. In particular, we unveil the existence of directions which can be defended without penalising accuracy. Finally, we show the advantage of defending non-robust features during training, identifying a uniform protection as an inherently effective defence mechanism.  ( 2 min )

submitted by /u/Crazy-Incident-6286 [link] [comments]

submitted by /u/Crazy-Incident-6286 [link] [comments]

​ https://preview.redd.it/ossvhnxujnhc1.png?width=1104&format=png&auto=webp&s=794397399523f851bf125347b62f5c9250bcc6df For this question the variable transition probabilities are A = 0.69, B = 0.31, C = 0.63, D = 0.37, E = 0.79, and F = 0.21. Let the maximum error between consecutive iterations ε=0.01, and the discount factor γ=0.2. Round your answers to two decimal places and use a period as a decimal separator. Using the policy iteration method, what is the value of state ‘Standing’? I am still having some difficult time grasping this concept and would really appreciate some help in solving this. Thanks ! submitted by /u/thesmudgelord [link] [comments]

Hi, i'm reposting this post because i'm interested by the subject, and i want more sources that takes the same idea https://www.reddit.com/r/MachineLearning/comments/wdswt5/d_are_there_any_papers_which_use_a_gan_to_project/ So the idea is to train a vanilla autoencoder, and then train a GAN on the latent space created by the autoencoder, do you have any sources like this ? the only source in comment is this one, and i'm using a representation of the article so you get the idea : https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/60c7455d567dfe9552ec4455/original/a-de-novo-molecular-generation-method-using-latent-vector-based-generative-adversarial-network.pdf https://preview.redd.it/a5bxvfuxcnhc1.png?width=552&format=png&auto=webp&s=dfc32064c484d41f1cc85aa78ebb638985ac5f16 submitted by /u/Vielox [link] [comments]

I found a library/API called "Robust Video Matting" here https://github.com/PeterL1n/RobustVideoMatting but it seems it works only on offline videos running the code locally. I am wondering is there any wrapper for this to make it work on real-time video input from webcam? Or is there any other good quality open source alternative to remove the webcam background in real-time? submitted by /u/thefreemanever [link] [comments]

DeepMind researchers came up with this. It was supposed to over perform existing solutions when using online learning, especially in the contextual bandits approach. submitted by /u/__A-R__ [link] [comments]

What are your top recommendations for this? submitted by /u/Jolie_GQ [link] [comments]

Introducing PLAPT: Protein Ligand Binding Affinity Prediction using Pretrained Transformers. Predicting protein-ligand binding affinity is crucial for drug discovery, as it enables efficient identification of drug candidates. We introduce PLAPT, a novel model utilizing transfer learning from pre-trained transformers like ProtBERT and ChemBERTa to predict binding affinities with high accuracy. Our method processes one-dimensional protein and ligand sequences, leveraging a branching neural network architecture for feature integration and affinity estimation. We demonstrate PLAPT’s superior performance through validation on multiple datasets, achieving state-of-the-art results while requiring significantly less computational resources for training compared to existing models. You can view a preprint of PLAPT at https://www.biorxiv.org/content/10.1101/2024.02.08.575577v1 submitted by /u/Navvye [link] [comments]

https://arxiv.org/abs/2305.18654 Abstract: Transformer large language models (LLMs) have sparked admiration for their exceptional performance on tasks that demand intricate multi-step reasoning. Yet, these models simultaneously show failures on surprisingly trivial problems. This begs the question: Are these errors incidental, or do they signal more substantial limitations? In an attempt to demystify transformer LLMs, we investigate the limits of these models across three representative compositional tasks -- multi-digit multiplication, logic grid puzzles, and a classic dynamic programming problem. These tasks require breaking problems down into sub-steps and synthesizing these steps into a precise answer. We formulate compositional tasks as computation graphs to systematically quantify the level of complexity, and break down reasoning steps into intermediate sub-procedures. Our empirical findings suggest that transformer LLMs solve compositional tasks by reducing multi-step compositional reasoning into linearized subgraph matching, without necessarily developing systematic problem-solving skills. To round off our empirical study, we provide theoretical arguments on abstract multi-step reasoning problems that highlight how autoregressive generations' performance can rapidly decay with increased task complexity. ​ ​ ​ https://preview.redd.it/a9ulmlfeomhc1.png?width=719&format=png&auto=webp&s=7a5dd0f3effaaece09b9f8ff1dd1c69ba5ac0271 ​ Edit: Kevin Murphy, Francois Chollet, Vitaly Kurin and others recommended this paper (some very highly) submitted by /u/we_are_mammals [link] [comments]

Hey all. To build truly useful GenAI apps, LLMs need to be able to access propriety data from structured and unstructured data sources. LLMs struggle to understand the availability, location, and methods to retrieve relevant data. Key problems: LLMs can’t identify if the necessary data is available to answer a user query in any of the data sources. If the data is available, LLMs can’t locate which data source to retrieve from. If the source is known, writing retrieval pipelines (text-to-SQL, text-to-Cypher, text-to-JSON, etc.) for the numerous retrieval protocols is complicated, repetitive, and non-deterministic. Some suggest fine-tuning or RAG as potential solutions but: Fine-tuning models with specific data is expensive, becomes outdated with the latest data, and has in-built access control issues. Continuous retraining is costly and doesn’t keep pace with real-time data changes. RAG doesn’t work with structured data. Most useful data is structured and can be spread across numerous data sources, each with its own querying mechanism. Writing individual retrieval pipelines are limited and complicated and don’t ensure determinism, security, and access control. Have you faced these issues in your projects? What workarounds or solutions have you found effective? Any new tools or practices that simplify integrating LLMs with diverse data sources? submitted by /u/aidemoniere [link] [comments]

I’m struggling to decide on an area of study/ program for my PhD. My background is in computational math and my end goal is to work as a ML research scientist for one of the large tech companies. I’ve been accepted into two applied math PhD programs. One is at a pretty prestigious school with a highly published author in optimization (some scientific machine learning both otherwise no real focus on ML), the other is at a less prestigious school with someone directly studying deep learning methodology with a few publications at ICML and neurIPS. I know I want a PhD, im genuinely interested in the math in both research areas, I’m more wondering what would make me more marketable for one of those PhD internships and or jobs at deepmind, meta, etc and if optimization research for machine learning is an active research area . Any and all advice for how to find my way to one of these companies with an applied math PhD is welcome! submitted by /u/hopefulpilot337 [link] [comments]

Paper: https://arxiv.org/abs/2402.05929 Abstract: The development of artificial intelligence systems is transitioning from creating static, task-specific models to dynamic, agent-based systems capable of performing well in a wide range of applications. We propose an Interactive Agent Foundation Model that uses a novel multi-task agent training paradigm for training AI agents across a wide range of domains, datasets, and tasks. Our training paradigm unifies diverse pre-training strategies, including visual masked auto-encoders, language modeling, and next-action prediction, enabling a versatile and adaptable AI framework. We demonstrate the performance of our framework across three separate domains -- Robotics, Gaming AI, and Healthcare. Our model demonstrates its ability to generate meaningful and contextually relevant outputs in each area. The strength of our approach lies in its generality, leveraging a variety of data sources such as robotics sequences, gameplay data, large-scale video datasets, and textual information for effective multimodal and multi-task learning. Our approach provides a promising avenue for developing generalist, action-taking, multimodal systems. https://preview.redd.it/cwl6ld2gzlhc1.jpg?width=1840&format=pjpg&auto=webp&s=5963b8c9452666b96e1285c03216179045f4b2fe https://preview.redd.it/u9nenp2gzlhc1.jpg?width=1826&format=pjpg&auto=webp&s=5643d1ffcc9f31bf1a706559fbfc136b66bf1cfe https://preview.redd.it/254zpf2gzlhc1.jpg?width=1316&format=pjpg&auto=webp&s=0f30202307f5264c33b996ea8f7870f29233e907 https://preview.redd.it/xwihaf2gzlhc1.jpg?width=639&format=pjpg&auto=webp&s=f51d54a2edbc8737ad9c90506441df15521c3991 submitted by /u/Singularian2501 [link] [comments]

In this article, the OpenCV.ai team examines algorithms that vanish blemishes and harmonize skin tones. Plus, they dive into the analysis of leading commercial solutions for face beautification, where they compare their performance through a series of real-world case studies. Introduction Explore the capabilities of computer vision techniques for facial enhancement in our thorough review. We delve into algorithms that remove blemishes, even out skin tone, and more. Additionally, we provide an overview of popular commercial solutions for face improvement, complete with various case studies. In this article you will find: Building a Solution Where To Make Changes In The Photo? Face Skin Mask Particular Blemishes Mask How to Make Those Changes? End-To-End Solutions Testing Open Source Commercial Solutions And more The Full article is here submitted by /u/No-Independence5880 [link] [comments]

Hello Everyone, I'm working with a moderately large deep learning dataset (~4.4 Tb) of satellite image data. Currently, I have the data stored as NPZ files. Each NPZ file contain the response labels and a time series of imagery. After digging around, it seems like storing the data in HDF5 might be a better alternative and improve random read speed. Does anyone have a suggestion for resources on best practices for managing large datasets? The information coming up on Google seems all over the place (w/ a healthy dose of ads for commercial solutions). submitted by /u/ppg_dork [link] [comments]

Hey All, Does anyone know of any models that are similar to YOLO; but are basically open source? All of the recent YOLO models are GPL and can't be used for commercial applications (the licensing fee is just too high). Thanks! submitted by /u/Odd_Background4864 [link] [comments]

Not being able to access a (free) cloud computing server at the moment, I would like to work on a research paper that I could perform all the experiments in feasible times on my single-gpu (8GB VRAM) gaming laptop. So i was wondering if anyone knows of interesting ML (preferably deep learning) research topics that one could do cutting-edge research on ona single-gpu laptop? I have been told working on some geometric deep learning and graph neural network datasets would be a candidate, any particular recommendation on that ? any other subfield? submitted by /u/nayv_blue [link] [comments]

We recently embarked on a project at Qbeast, where we ventured into AI-driven meme creation aimed at the world of data engineering. Our goal? To not only craft memes that resonate with the daily grind of data engineers but also to push the envelope on what's possible with LLMs. 🚀📊 This has taught us a lot, especially about fine-tuning AI models and customizing datasets for humor. Facing similar AI hurdles or curious about tech meeting creativity? Let's swap stories and insights. Jump into the discussion and share your take on AI's creative edge. Dive into our story and let's spark a discussion: https://qbeast.io/qbeasts-adventure-in-ai-driven-meme-creation/ submitted by /u/alinagrebenkina [link] [comments]

Generative Adversarial Networks for probabilistic forecasting and classification Recently I have been interested in GANs for forecasting and classification, as opposed to generation. I'm aware that most of the research done on GANs is on generating new data - eg: synthetic timeseries generation, deepfake, etc. My understanding is that the generator eventually understands the underlying probability distribution of the original data. On the other hand, the discriminator simply classifies the data into real or fake (binary classification). Now I'm trying to understand this in the context of classifying/forecasting time series. The problem can be framed as: Given a timeseries (eg: returns of a stock), I want to forecast the next timestep return. I gues for classifying I just need to take the sign() of it. My doubt is, after training the GAN, how do I do inference? Do I take the discriminator? The generator? Furthermore, I'm predicting the next timestep return, how is this probabilistic forecasting? Do I get a distribution as output? As a reference paper, you can look up: https://papers.ssrn.com/sol3/papers.cfm?abstract_id=4328302 submitted by /u/LeHalfW [link] [comments]

Hi all, I am considering doing an Electricity Price Forecast (EPF) on a day-ahead very volatile market with 2 years of historical data. I am quite amateur in time-series ML, thus kindly asking for suggestions regarding models that take exogenous variables. They are: (1) Weather, (2) Coal and Gas prices, (3) Neighbouring countries electricity prices, (4) Supply and demand. I do understand the accuracy won't be high considering the amount of available data and the volatile market. For now, I am considering SARIMAX-GARCH, AutoArima, EPFTOOLBOX, LSTM. submitted by /u/_what_the_f [link] [comments]

These are my personal favourites: connectedpapers.com - This is a great tool when you start a new research project. Starting from one relevant paper it shows you a graph of all related papers and their citations. This gives you a great overview of the relevant literature and how they are connected via citations. consensus.app - An AI search engine for research. You can ask for specific topics, related papers, etc. Great tool if you need some more citations in your paper or wanna get a better idea of relevant works. paperparrot.ai - This is a personalized research paper newsletter that sends you summaries of the latest papers based on your interest once a week. Pretty useful to keep up with new papers and not miss stuff that you otherwise might not see. overleaf.com - The go-to web app for writing research papers or notes. You have version control, can collaborate with multiple people and everything is web-based. Just the best way to write LateX IMO. trello.com - If you have a project with multiple collaborators this can be helpful to get things organized and keep track of who is doing what and when. submitted by /u/Time-Sympathy724 [link] [comments]

Sentiment Analysis always has been a classification problem but is there a way to quantify the impact as how badly a review is based on some quantitative information? I have tried few ways but need different approaches 1. Polarity score (-1 to 1) *100 2. Sentence wise (% of negative sentiment out of all sentences) and combination of overall polarity Used Bert model accuracy score instead of NLTK polarity and VADER score submitted by /u/Glass-Try-9851 [link] [comments]

Is it too outdated of a method with all the SOTA methods in feature disentanglement and the quality of image generation? What is the status of with Normalizing Flow in 2024? submitted by /u/BigDreamx [link] [comments]

submitted by /u/Elven77AI [link] [comments]

Project ideas Hi, I am a PhD student in Applied Mathematics + statistics and I am taking a deep learning course this semester which has a project requirement. While I am strong in my mathematical statistics, foundational ML, and natural language processing (NLP), this is my first time learning deep learning formally. Professor expects us to do independent, novel (nothing groundbreaking, but publication worthy if pursued properly) research and I wanted to use this community to gather ideas. I wanted to explore something in Bayesian neural networks, especially checking if it is robust to poison attacks both empirically and mathematically. Upon literature review, I realized that this topic has been well researched across multiple studies albeit with polarizing conclusions. What does the community think? I only have 3-4 months more and I would appreciate any ideas that are realistic to pursue within these timelines. submitted by /u/redwing42 [link] [comments]

Most of the Nerf papers I’m aware require multiple input views, the main paper I’ve found is Single view nerf with depth teacher. Wondering if anyone has additional papers or techniques they can share/ discuss what they’ve had the most success with? submitted by /u/AbjectDrink3276 [link] [comments]

Mamba is a state space model with data-dependent coefficients. It is originally trained with associative scan, with currently is not supported directly by pytorch, hence why the authors wrote custom cuda kernels for it (which has the additional benefit of kernel fusion). To simplify this, someone wrote a minimal version of mamba in one file, where the associative scan operation is replaced by a for loop, which sacrifices efficiency for simplicity of implementation. However, I think there is a way to implement mamba in pure pytorch without losing too much efficiency, and that is to use cumulative sums which pytorch efficiently supports. This implementation is encapsulated in my rather simple commit over the minimal mamba repo, which provides around 14 times speedup over the minimal for loop implementation (with a bit less code). The correctness of also verified by comparing with the outputs of the for loop implementation. The high level idea is basically to "decompose" the original parallel scan down to the ratio of two cumulative sums, retaining the same time complexity O(n) and parallel efficiency O(logn) of associative scans. submitted by /u/dna961010 [link] [comments]

So I want to build a pc for ML, and I'm really more interested in RL I was gifted a 7900gre so gpu is already set even though I know NVidia is superior in this market im kinda hoping amd is stepping up with ROCm or some other open magic they have, so that this GPU is at least decent (if I could get a comparison to any NVidia GPU it would be amazing so that i know where i stand with it, as in is it better than a 3060 ? all things considered) next up ram and CPU, im wondering how much does cpu count, thread count, cpu clock, cache size matter for RL, im was kinda looking into a 7600x(if it doesnt really matter)/ 7700(if it kinda matters), or a 7900x if it's really important, also was looking into 32 gb of ram or 64 if it's really important (does speed matter ?) I know this post is all over the place but I'm not sure how to structure it and I have many questions, overall how much does a cpu/ ram affect ML/RL applications? submitted by /u/AnalSpecialist [link] [comments]

submitted by /u/Crazy-Incident-6286 [link] [comments]

this may prove a major leap toward developing much stronger logic and reasoning algorithms that may provide a faster route to both solving the hallucination and alignment problems and getting us to agi. "The framework promises substantial enhancements in tackling challenging reasoning tasks. It demonstrates remarkable improvements, boasting up to a 32% performance increase compared to traditional methods like Chain of Thought (CoT). This novel approach revolves around LLMs autonomously uncovering task-intrinsic reasoning structures to navigate complex problems." here's the paper: https://arxiv.org/pdf/2402.03620.pdf submitted by /u/Georgeo57 [link] [comments]

Title says it all. I am looking for great theories which explain how neural networks learn and why they work as good as they do. Every theory should also make predictions (quantum theory can be used to predict the molecular interactions, etc. . relativity theory predicts the behaviour of space-time. etc.). I know of the following theories which are worth to mention: https://arxiv.org/pdf/1503.02406.pdf "Deep Learning and the Information Bottleneck Principle" https://arxiv.org/pdf/2104.13478.pdf "Geometric Deep Learning - Grids, Groups, Graphs, Geodesics, and Gauges" https://arxiv.org/pdf/2106.10165.pdf "The Principles of Deep Learning Theory" anything else important I was missing? submitted by /u/squareOfTwo [link] [comments]

Google launches Ultra 1.0, its largest and most capable AI model, in its ChatGPT-like assistant which has now been rebranded as Gemini (earlier called Bard). Gemini Advanced is available, in 150 countries, as a premium plan for $19.99/month, starting with a two-month trial at no cost. Google is also rolling out Android and iOS apps for Gemini [Details]. Alibaba Group released Qwen1.5 series, open-sourcing models of 6 sizes: 0.5B, 1.8B, 4B, 7B, 14B, and 72B. Qwen1.5-72B outperforms Llama2-70B across all benchmarks. The Qwen1.5 series is available on Ollama and LMStudio. Additionally, API on together.ai [Details | Hugging Face]. NVIDIA released Canary 1B, a multilingual model for speech-to-text recognition and translation. Canary transcribes speech in English, Spanish, German, and French a…

submitted by /u/dead_planets_society [link] [comments]

Common Crawl is a massive archive of web crawl data created by a small nonprofit that has become a central building block for generative AI (or more specifically LLMs) due to its size and free availability. Yet so far, its role and influence on generative AI has not received a lot of attention. To fill this gap, I studied Common Crawl in-depth and considered both the positive and negative implications of its popularity among LLM builders. You can read the full report here. Sharing it here because I think it's interesting for this sub and curious what you think. Some key takeaways: Common Crawl already exists since 2007 and proving data for AI training has never been its primary goal. Its mission is to level the playing field for technology development by giving free access to data that…

Stanford University & OpenAI Introduces ‘Meta-Prompting’ to Improve Language Model Performance.[1] FCC declares AI-generated voices in robocalls are illegal.[2] NVIDIA CEO Jensen Huang recognized for GPUs and AI revolution, elected to National Academy of Engineering.[3] Russian man builds ChatGPT bot to chat not just find his perfect match on Tinder, but he built an LLM to chat to the women before he did.[4] Sources: [1] https://www.linkedin.com/pulse/stanford-university-openai-introduces-meta-prompting-improve-malik-izisf/?utm_source=rss&utm_campaign=articles_sitemaps&utm_medium=google_news [2] https://www.cbsnews.com/news/fcc-declares-robocalls-illegal/ [3] https://www.tweaktown.com/news/96102/nvidia-ceo-recognized-for-gpus-and-ai-revolution-elected-to-national-academy-of-engineering/index.html [4] https://www.tweaktown.com/news/96090/russian-man-uses-open-ais-chatgpt-4-to-find-the-perfect-date-on-tinder-ai-bot-talked-woman/index.html submitted by /u/Excellent-Target-847 [link] [comments]

I used a combination of Grimoire and Java Expert GPT to prototype the pipeline, system, and mechanics for an Isekai Simulator. I didn't write a single line of code and don't have much advanced coding experience, though I work as a game designer and have basic scripting knowledge. https://reddit.com/link/1amcj9x/video/2uipsqxjrghc1/player Highlights: Took a month in my spare time. The GPTs were great early on in the process for generating new features quickly (solid daily progress). Once the code got large (around 2K lines), it had trouble debugging issues (and I'm sure the code generated is unoptimized and redundant as all heck). It taught me how to use GoogleSheets api to fetch all the tuning data shown in the game I gained an understanding of Javascript syntax and how it is structured and flows and can read it now (coming from very little experience with it before). This experience has made me interested in learning it proper. Audio by Suno.ai It was an amazing amount of fun early on just to see it generate whole features pretty quickly, but got quite tedious once the code base was larger and it couldn't find very simple and small logic or syntax issues within the code. I resorted to breaking the code blocks down, or putting all the code into a single pdf file and asking it to refer to it, but it just struggled more and more over time. I did get a pretty good workflow sorted out for working with GPTs for programming though, which is nice. I look forward to trying out future models with a larger context window of understanding to make debugging logic and errors easier. Anyone else come across good solutions to the above issues? -Kaz Previous IPD Experiments: https://www.reddit.com/r/artificial/comments/17dyvb8/tried_visualizing_an_entire_script_using_dalle_3/ https://www.reddit.com/r/ChatGPT/comments/18ul0th/ai_and_ip_development_working_examples/ ​ submitted by /u/Kulimar [link] [comments]

I'd like to turn myself Indian using AI to see if I'd blend in. I need it for a greater project. Any apps/websites I could use? submitted by /u/xX_MLGgamer420_Xx [link] [comments]

In this post, we show you how to build an internal SaaS layer to access foundation models with Amazon Bedrock in a multi-tenant (team) architecture. We specifically focus on usage and cost tracking per tenant and also controls such as usage throttling per tenant. We describe how the solution and Amazon Bedrock consumption plans map to the general SaaS journey framework. The code for the solution and an AWS Cloud Development Kit (AWS CDK) template is available in the GitHub repository.  ( 13 min )

Can the Q-LP optimization problem be solved for the case of episodic tasks (finite horizon)? submitted by /u/MomoSolar [link] [comments]

Is a laundry folding robot possible with current RL? Is the combination space of possible folds of fabric just too large and complicated? What is everyone’s thoughts submitted by /u/nodel_official [link] [comments]

I am trying to design a reward function for my DQN agent. Actually, the agent decides to trade some amount of electricity in the Day Ahead and some in Real-Time markets. The revenue for the Day Ahead is calculated using this formula: DA Price * units to trade, and for the Real-Time Market, we calculate the reward as (Real-Time units - Day Ahead units) * Real-Time Price. Now, there are constraints. In the Day Ahead market, I’m allowed to buy only 200 MW at max and sell 200 MW, and the same goes for Real-Time. In the Day Ahead market, the max units we need to trade are 800, and the same for Real-Time. Now, the issue arises: I don’t want to make money by holding positions in real-time if they were taken in the Day Ahead until and unless the real-time hour is either the lowest or highest. All I’m saying is I want to make money by buying in the lowest hours and selling in the highest in both markets; there’s no other way I want to make money. I tried playing with multiple reward functions, but the agent is trying to maximize cumulative revenue like losing money in Day Ahead and then making it in Real-Time by holding positions taken in Day Ahead. So, I think the agent is trying to make money by exploiting the difference between LMPs of both markets. The observation of the agent contains all important forecasted features. I need help designing the reward function. submitted by /u/uonliaquat [link] [comments]

Hi, I am trying to train a PPO model (using stable baselines3) to build self-driving cars in a 2D simulation of a city road that I registered as a gym env. The task is to drive as fast as possible on the map without terminating ( colliding with walls or other cars). I use the following reward function for this: R_speed = |v - v_speedlimit | / v_speedlimit, where v is the current speed. R_angle = cos(alpha) where alpha is the angle between the car and the lane directions. R = (1-terminated) x R_speed x R_angle - terminated x 100 The environment is a bird-eye representation of a complete city, hence it is quite a big map. The problem is, although the agent increases its rewards up to a good point for ~500k timesteps while learning to drive as fast as the speed limit and taking curvatures, suddenly it's like completely forgets everything, drives straight at high speed and bumps into the obstacle it first encounters. I have read similar posts and tried suggested hyperparameter tunings but haven't managed to solve the problem yet. I am suspecting that after some time, it begins to overfit to perform actions that it takes in straight or small curvature roads because they are the 70% of the map. Since the agent won't die easily anymore, it often drives in these roads. When it terminates I reset the starting point to a random location. I use continuous action spaces: - Combination of throttle and break: [-1 (full break), 1 (full throttle) ] - Steering angle: [-1, 1] in radians ​ Here are some hyperparameters and network configurations I have tried: Net arch: [128,128], [64,64], [256,256] etc. Activation fn: tanh, ReLU, ReLU6 Ent. coeff: 0, 0.001, 0.01, 0.02 Clip range: 0.2, 0.1, linear schedule from 0.2 to 0.05 n_steps : 4096 n_envs : 1 (I am not able to parallelize the training, can this be the issue?) batch size: 64 submitted by /u/Few-Pen-9807 [link] [comments]

Background: I have been fascinated by A.I for a bit of time now, and since i finished my batchelor, I took a master with quite a few a.i options, gone through supervised learning, liked it quite a bit, and I reached the point where I have a reinforcement learning course, and I absolutely love it, I found myself studying ahead, and looking online for more and more questions I have gone through: qlearning, dqn, double dqn, dueling dqn, rainbow dqn, DGP, DDGP,PPO,A2C,A3C and on my list I have Hierarhical reinforcement For most of them I understand how it all works, though i have to admit im still a bit fuzzy on things like dueling DQN (i get what is different, and why it's done, but it doesnt feel natural to me) Does this give me enough of a basis to do a good enough project for my course ?(teacher mentioned that if it's good enough we could turn it into a research paper or sth, and i'm kinda planning to do my masters thesis on RL) I guess all my questions turn to: Is this enough for now, what other areas should I explore, and what is "Good Enough"? submitted by /u/AnalSpecialist [link] [comments]

So I want to build a pc for ML, and I'm really more interested in RL I was gifted a 7900gre so gpu is already set even though I know NVidia is superior in this market im kinda hoping amd is stepping up with ROCm or some other open magic they have, so that this GPU is at least decent (if I could get a comparison to any NVidia GPU it would be amazing so that i know where i stand with it, as in is it better than a 3060 ? all things considered) next up ram and CPU, im wondering how much does cpu count, thread count, cpu clock, cache size matter for RL, im was kinda looking into a 7600x(if it doesnt really matter)/ 7700(if it kinda matters), or a 7900x if it's really important, also was looking into 32 gb of ram or 64 if it's really important (does speed matter ?) I know this post is all over the place but I'm not sure how to structure it and I have many questions, overall how much does a cpu/ ram affect ML/RL applications? submitted by /u/AnalSpecialist [link] [comments]

In this article, the OpenCV.ai team examines algorithms that vanish blemishes and harmonize skin tones. Plus, they dive into the analysis of leading commercial solutions for face beautification, where they compare their performance through a series of real-world case studies. Introduction Explore the capabilities of computer vision techniques for facial enhancement in our thorough review. We delve into algorithms that remove blemishes, even out skin tone, and more. Additionally, we provide an overview of popular commercial solutions for face improvement, complete with various case studies. In this article you will find: Building a Solution Where To Make Changes In The Photo? Face Skin Mask Particular Blemishes Mask How to Make Those Changes? End-To-End Solutions Testing Open Source Commercial Solutions And more The Full article is here submitted by /u/No-Independence5880 [link] [comments]

I'm trying to build a video classifier with pretrained Resent as feature extractor and LSTM for temporal learning and a fully connected layers as basic classifiers. My dataset has 10 classes. I've checked many resources and apparently cnn LSTM combination works to classify videos and my assignment also has this as a requirement. I'm using cross entropy loss, there is an imbalance in dataset with 'normal' class having nearly twice the annotations as second highest class. I've posted about the same in stack overflow can someone identify the issue. Thanks submitted by /u/Jaded-Association927 [link] [comments]

2024 is the year of great data science predictions targeting big business churn. It is the time to yield benefits from the popular data science frameworks that are streamed to do wonders for industries far and wide. Data science is not just a spoof on the big number game that guides businesses’ growth. It is… Read More »10 Prominent Data Science Predictions 2024- Know What the Industry Experts Say? The post 10 Prominent Data Science Predictions 2024- Know What the Industry Experts Say? appeared first on Data Science Central.  ( 22 min )

Autonomous helicopters made by Rotor Technologies, a startup led by MIT PhDs, take the human out of risky commercial missions.  ( 7 min )

Many imitation learning (IL) algorithms employ inverse reinforcement learning (IRL) to infer the intrinsic reward function that an expert is implicitly optimizing for based on their demonstrated behaviors. However, in practice, IRL-based IL can fail to accomplish the underlying task due to a misalignment between the inferred reward and the objective of the task. In this paper, we address the susceptibility of IL to such misalignment by introducing a semi-supervised reward design paradigm called Protagonist Antagonist Guided Adversarial Reward (PAGAR). PAGAR-based IL trains a policy to perform well under mixed reward functions instead of a single reward function as in IRL-based IL. We identify the theoretical conditions under which PAGAR-based IL can avoid the task failures caused by reward misalignment. We also present a practical on-and-off policy approach to implementing PAGAR-based IL. Experimental results show that our algorithm outperforms standard IL baselines in complex tasks and challenging transfer settings.  ( 2 min )

Purpose: To develop and evaluate a semi-supervised learning model for intracranial hemorrhage detection and segmentation on an out-of-distribution head CT evaluation set. Materials and Methods: This retrospective study used semi-supervised learning to bootstrap performance. An initial "teacher" deep learning model was trained on 457 pixel-labeled head CT scans collected from one US institution from 2010-2017 and used to generate pseudo-labels on a separate unlabeled corpus of 25000 examinations from the RSNA and ASNR. A second "student" model was trained on this combined pixel- and pseudo-labeled dataset. Hyperparameter tuning was performed on a validation set of 93 scans. Testing for both classification (n=481 examinations) and segmentation (n=23 examinations, or 529 images) was performed on CQ500, a dataset of 481 scans performed in India, to evaluate out-of-distribution generalizability. The semi-supervised model was compared with a baseline model trained on only labeled data using area under the receiver operating characteristic curve (AUC), Dice similarity coefficient (DSC), and average precision (AP) metrics. Results: The semi-supervised model achieved statistically significantly higher examination AUC on CQ500 compared with the baseline (0.939 [0.938, 0.940] vs. 0.907 [0.906, 0.908]) (p=0.009). It also achieved a higher DSC (0.829 [0.825, 0.833] vs. 0.809 [0.803, 0.812]) (p=0.012) and Pixel AP (0.848 [0.843, 0.853]) vs. 0.828 [0.817, 0.828]) compared to the baseline. Conclusion: The addition of unlabeled data in a semi-supervised learning framework demonstrates stronger generalizability potential for intracranial hemorrhage detection and segmentation compared with a supervised baseline.  ( 3 min )

Stochastic gradient descent (SGD) is perhaps the most prevalent optimization method in modern machine learning. Contrary to the empirical practice of sampling from the datasets without replacement and with (possible) reshuffling at each epoch, the theoretical counterpart of SGD usually relies on the assumption of sampling with replacement. It is only very recently that SGD with sampling without replacement -- shuffled SGD -- has been analyzed. For convex finite sum problems with $n$ components and under the $L$-smoothness assumption for each component function, there are matching upper and lower bounds, under sufficiently small -- $\mathcal{O}(\frac{1}{nL})$ -- step sizes. Yet those bounds appear too pessimistic -- in fact, the predicted performance is generally no better than for full gradient descent -- and do not agree with the empirical observations. In this work, to narrow the gap between the theory and practice of shuffled SGD, we sharpen the focus from general finite sum problems to empirical risk minimization with linear predictors. This allows us to take a primal-dual perspective and interpret shuffled SGD as a primal-dual method with cyclic coordinate updates on the dual side. Leveraging this perspective, we prove fine-grained complexity bounds that depend on the data matrix and are never worse than what is predicted by the existing bounds. Notably, our bounds predict much faster convergence than the existing analyses -- by a factor of the order of $\sqrt{n}$ in some cases. We empirically demonstrate that on common machine learning datasets our bounds are indeed much tighter. We further extend our analysis to nonsmooth convex problems and more general finite-sum problems, with similar improvements.  ( 3 min )

Collecting an over-the-air wireless communications training dataset for deep learning-based communication tasks is relatively simple. However, labeling the dataset requires expert involvement and domain knowledge, may involve private intellectual properties, and is often computationally and financially expensive. Active learning is an emerging area of research in machine learning that aims to reduce the labeling overhead without accuracy degradation. Active learning algorithms identify the most critical and informative samples in an unlabeled dataset and label only those samples, instead of the complete set. In this paper, we introduce active learning for deep learning applications in wireless communications, and present its different categories. We present a case study of deep learning-based mmWave beam selection, where labeling is performed by a compute-intensive algorithm based on exhaustive search. We evaluate the performance of different active learning algorithms on a publicly available multi-modal dataset with different modalities including image and LiDAR. Our results show that using an active learning algorithm for class-imbalanced datasets can reduce labeling overhead by up to 50% for this dataset while maintaining the same accuracy as classical training.  ( 2 min )

In this paper, we introduce DiarizationLM, a framework to leverage large language models (LLM) to post-process the outputs from a speaker diarization system. Various goals can be achieved with the proposed framework, such as improving the readability of the diarized transcript, or reducing the word diarization error rate (WDER). In this framework, the outputs of the automatic speech recognition (ASR) and speaker diarization systems are represented as a compact textual format, which is included in the prompt to an optionally finetuned LLM. The outputs of the LLM can be used as the refined diarization results with the desired enhancement. As a post-processing step, this framework can be easily applied to any off-the-shelf ASR and speaker diarization systems without retraining existing components. Our experiments show that a finetuned PaLM 2-S model can reduce the WDER by rel. 55.5% on the Fisher telephone conversation dataset, and rel. 44.9% on the Callhome English dataset.  ( 2 min )

This paper presents a new method for combining (or aggregating or ensembling) multivariate probabilistic forecasts, considering dependencies between quantiles and marginals through a smoothing procedure that allows for online learning. We discuss two smoothing methods: dimensionality reduction using Basis matrices and penalized smoothing. The new online learning algorithm generalizes the standard CRPS learning framework into multivariate dimensions. It is based on Bernstein Online Aggregation (BOA) and yields optimal asymptotic learning properties. The procedure uses horizontal aggregation, i.e., aggregation across quantiles. We provide an in-depth discussion on possible extensions of the algorithm and several nested cases related to the existing literature on online forecast combination. We apply the proposed methodology to forecasting day-ahead electricity prices, which are 24-dimensional distributional forecasts. The proposed method yields significant improvements over uniform combination in terms of continuous ranked probability score (CRPS). We discuss the temporal evolution of the weights and hyperparameters and present the results of reduced versions of the preferred model. A fast C++ implementation of the proposed algorithm is provided in the open-source R-Package profoc on CRAN.  ( 3 min )

Self-supervised learning (SSL) has shown remarkable performance in computer vision tasks when trained offline. However, in a Continual Learning (CL) scenario where new data is introduced progressively, models still suffer from catastrophic forgetting. Retraining a model from scratch to adapt to newly generated data is time-consuming and inefficient. Previous approaches suggested re-purposing self-supervised objectives with knowledge distillation to mitigate forgetting across tasks, assuming that labels from all tasks are available during fine-tuning. In this paper, we generalize self-supervised continual learning in a practical setting where available labels can be leveraged in any step of the SSL process. With an increasing number of continual tasks, this offers more flexibility in the pre-training and fine-tuning phases. With Kaizen, we introduce a training architecture that is able to mitigate catastrophic forgetting for both the feature extractor and classifier with a carefully designed loss function. By using a set of comprehensive evaluation metrics reflecting different aspects of continual learning, we demonstrated that Kaizen significantly outperforms previous SSL models in competitive vision benchmarks, with up to 16.5% accuracy improvement on split CIFAR-100. Kaizen is able to balance the trade-off between knowledge retention and learning from new data with an end-to-end model, paving the way for practical deployment of continual learning systems.  ( 3 min )

WiFi-enabled Internet-of-Things (IoT) devices are evolving from mere communication devices to sensing instruments, leveraging Channel State Information (CSI) extraction capabilities. Nevertheless, resource-constrained IoT devices and the intricacies of deep neural networks necessitate transmitting CSI to cloud servers for sensing. Although feasible, this leads to considerable communication overhead. In this context, this paper develops a novel Real-time Sensing and Compression Network (RSCNet) which enables sensing with compressed CSI; thereby reducing the communication overheads. RSCNet facilitates optimization across CSI windows composed of a few CSI frames. Once transmitted to cloud servers, it employs Long Short-Term Memory (LSTM) units to harness data from prior windows, thus bolstering both the sensing accuracy and CSI reconstruction. RSCNet adeptly balances the trade-off between CSI compression and sensing precision, thus streamlining real-time cloud-based WiFi sensing with reduced communication costs. Numerical findings demonstrate the gains of RSCNet over the existing benchmarks like SenseFi, showcasing a sensing accuracy of 97.4% with minimal CSI reconstruction error. Numerical results also show a computational analysis of the proposed RSCNet as a function of the number of CSI frames.  ( 2 min )

Weakly supervised learning with noisy data has drawn attention in the medical imaging community due to the sparsity of high-quality disease labels. However, little is known about the limitations of such weakly supervised learning and the effect of these constraints on disease classification performance. In this paper, we test the effects of such weak supervision by examining model tolerance for three conditions. First, we examined model tolerance for noisy data by incrementally increasing error in the labels within the training data. Second, we assessed the impact of dataset size by varying the amount of training data. Third, we compared performance differences between binary and multi-label classification. Results demonstrated that the model could endure up to 10% added label error before experiencing a decline in disease classification performance. Disease classification performance steadily rose as the amount of training data was increased for all disease classes, before experiencing a plateau in performance at 75% of training data. Last, the binary model outperformed the multilabel model in every disease category. However, such interpretations may be misleading, as the binary model was heavily influenced by co-occurring diseases and may not have learned the specific features of the disease in the image. In conclusion, this study may help the medical imaging community understand the benefits and risks of weak supervision with noisy labels. Such studies demonstrate the need to build diverse, large-scale datasets and to develop explainable and responsible AI.  ( 3 min )

In recent years, deep learning has made remarkable progress in a wide range of domains, with a particularly notable impact on natural language processing tasks. One of the challenges associated with training deep neural networks in the context of LLMs is the need for large amounts of computational resources and time. To mitigate this, network growing algorithms offer potential cost savings, but their underlying mechanisms are poorly understood. We present two notable contributions in this paper. First, we present Deep Fusion, an efficient approach to network training that leverages pre-trained initializations of smaller networks. Second, we propose a theoretical framework using backward error analysis to illustrate the dynamics of mid-training network growth. Our experiments show how Deep Fusion is a practical and effective approach that not only accelerates the training process but also reduces computational requirements, maintaining or surpassing traditional training methods' performance in various NLP tasks and T5 model sizes. Finally, we validate our theoretical framework, which guides the optimal use of Deep Fusion, showing that with carefully optimized training dynamics, it significantly reduces both training time and resource consumption.  ( 2 min )

Message-passing Graph Neural Networks (GNNs), which collect information from adjacent nodes achieve dismal performance on heterophilic graphs. Various schemes have been proposed to solve this problem, and propagating signed information on heterophilic edges has gained great attention. Recently, some works provided theoretical analysis that signed propagation always leads to performance improvement under a binary class scenario. However, we notice that prior analyses do not align well with multi-class benchmark datasets. This paper provides a new understanding of signed propagation for multi-class scenarios and points out two drawbacks in terms of message-passing and parameter update: (1) Message-passing: if two nodes belong to different classes but have a high similarity, signed propagation can decrease the separability. (2) Parameter update: the prediction uncertainty (e.g., conflict evidence) of signed neighbors increases during training, which can impede the stability of the algorithm. Based on the observation, we introduce two novel strategies for improving signed propagation under multi-class graphs. The proposed scheme combines calibration to secure robustness while reducing uncertainty. We show the efficacy of our theorem through extensive experiments on six benchmark graph datasets.  ( 2 min )

We study how to make decisions that minimize Bayesian regret in offline linear bandits. Prior work suggests that one must take actions with maximum lower confidence bound (LCB) on their reward. We argue that reliance on LCB is inherently flawed in this setting and propose a new algorithm that directly minimizes upper bounds on the Bayesian regret using efficient conic optimization solvers. Our bounds build heavily on new connections to monetary risk measures. Proving a matching lower bound, we show that our upper bounds are tight, and by minimizing them we are guaranteed to outperform the LCB approach. Our numerical results on synthetic domains confirm that our approach is superior to maximizing LCB.  ( 2 min )

Federated Learning (FL) has become an established technique to facilitate privacy-preserving collaborative training across a multitude of clients. However, new approaches to FL often discuss their contributions involving small deep-learning models only and focus on training full models on clients. In the wake of Foundation Models (FM), the reality is different for many deep learning applications. Typically, FMs have already been pre-trained across a wide variety of tasks and can be fine-tuned to specific downstream tasks over significantly smaller datasets than required for full model training. However, access to such datasets is often challenging. By its design, FL can help to open data silos. With this survey, we introduce a novel taxonomy focused on computational and communication efficiency, the vital elements to make use of FMs in FL systems. We discuss the benefits and drawbacks of parameter-efficient fine-tuning (PEFT) for FL applications, elaborate on the readiness of FL frameworks to work with FMs and provide future research opportunities on how to evaluate generative models in FL as well as the interplay of privacy and PEFT.  ( 2 min )

Recent architectural developments have enabled recurrent neural networks (RNNs) to reach and even surpass the performance of Transformers on certain sequence modeling tasks. These modern RNNs feature a prominent design pattern: linear recurrent layers interconnected by feedforward paths with multiplicative gating. Here, we show how RNNs equipped with these two design elements can exactly implement (linear) self-attention, the main building block of Transformers. By reverse-engineering a set of trained RNNs, we find that gradient descent in practice discovers our construction. In particular, we examine RNNs trained to solve simple in-context learning tasks on which Transformers are known to excel and find that gradient descent instills in our RNNs the same attention-based in-context learning algorithm used by Transformers. Our findings highlight the importance of multiplicative interactions in neural networks and suggest that certain RNNs might be unexpectedly implementing attention under the hood.  ( 2 min )

We focus on constrained, $L$-smooth, nonconvex-nonconcave min-max problems either satisfying $\rho$-cohypomonotonicity or admitting a solution to the $\rho$-weakly Minty Variational Inequality (MVI), where larger values of the parameter $\rho>0$ correspond to a greater degree of nonconvexity. These problem classes include examples in two player reinforcement learning, interaction dominant min-max problems, and certain synthetic test problems on which classical min-max algorithms fail. It has been conjectured that first-order methods can tolerate value of $\rho$ no larger than $\frac{1}{L}$, but existing results in the literature have stagnated at the tighter requirement $\rho < \frac{1}{2L}$. With a simple argument, we obtain optimal or best-known complexity guarantees with cohypomonotonicity or weak MVI conditions for $\rho < \frac{1}{L}$. The algorithms we analyze are inexact variants of Halpern and Krasnosel'ski\u{\i}-Mann (KM) iterations. We also provide algorithms and complexity guarantees in the stochastic case with the same range on $\rho$. Our main insight for the improvements in the convergence analyses is to harness the recently proposed "conic nonexpansiveness" property of operators. As byproducts, we provide a refined analysis for inexact Halpern iteration and propose a stochastic KM iteration with a multilevel Monte Carlo estimator.  ( 2 min )

Algorithm unrolling has emerged as a learning-based optimization paradigm that unfolds truncated iterative algorithms in trainable neural-network optimizers. We introduce Stochastic UnRolled Federated learning (SURF), a method that expands algorithm unrolling to federated learning in order to expedite its convergence. Our proposed method tackles two challenges of this expansion, namely the need to feed whole datasets to the unrolled optimizers to find a descent direction and the decentralized nature of federated learning. We circumvent the former challenge by feeding stochastic mini-batches to each unrolled layer and imposing descent constraints to guarantee its convergence. We address the latter challenge by unfolding the distributed gradient descent (DGD) algorithm in a graph neural network (GNN)-based unrolled architecture, which preserves the decentralized nature of training in federated learning. We theoretically prove that our proposed unrolled optimizer converges to a near-optimal region infinitely often. Through extensive numerical experiments, we also demonstrate the effectiveness of the proposed framework in collaborative training of image classifiers.  ( 2 min )

The proliferation of large AI models trained on uncurated, often sensitive web-scraped data has raised significant privacy concerns. One of the concerns is that adversaries can extract information about the training data using privacy attacks. Unfortunately, the task of removing specific information from the models without sacrificing performance is not straightforward and has proven to be challenging. We propose a rather easy yet effective defense based on backdoor attacks to remove private information such as names and faces of individuals from vision-language models by fine-tuning them for only a few minutes instead of re-training them from scratch. Specifically, through strategic insertion of backdoors into text encoders, we align the embeddings of sensitive phrases with those of neutral terms-"a person" instead of the person's actual name. For image encoders, we map embeddings of individuals to be removed from the model to a universal, anonymous embedding. Our empirical results demonstrate the effectiveness of our backdoor-based defense on CLIP by assessing its performance using a specialized privacy attack for zero-shot classifiers. Our approach provides not only a new "dual-use" perspective on backdoor attacks, but also presents a promising avenue to enhance the privacy of individuals within models trained on uncurated web-scraped data.  ( 2 min )

Multiscale phenomena manifest across various scientific domains, presenting a ubiquitous challenge in accurately and effectively predicting multiscale dynamics in complex systems. In this paper, a novel solving mode is proposed for characterizing multiscale dynamics through a decoupling method. By modelling large-scale dynamics independently and treating small-scale dynamics as a slaved system, a Spectral PINN is developed to approach the small-scale system in an orthogonal basis functional space. The effectiveness of the method is demonstrated through extensive numerical experiments, including one-dimensional Kuramot-Sivashinsky (KS) equation, two- and three-dimensional Navier-Stokes (NS) equations, showcasing its versatility in addressing problems of fluid dynamics. Furthermore, we also delve into the application of the proposed approach to more complex problems, including non-uniform meshes, complex geometries, large-scale data with noise, and high-dimensional small-scale dynamics. The discussions about these scenarios contribute to a comprehensive understanding of the method's capabilities and limitations. This novel decoupling approach simplifies the analysis and prediction of spatiotemporal systems, where large-scale data can be obtained with low computational demands, followed by Spectral PINNs for capturing small-scale dynamics with improved efficiency and accuracy.  ( 2 min )

Recently, we demonstrated success of a time-synchronized state estimator using deep neural networks (DNNs) for real-time unobservable distribution systems. In this letter, we provide analytical bounds on the performance of that state estimator as a function of perturbations in the input measurements. It has already been shown that evaluating performance based on only the test dataset might not effectively indicate a trained DNN's ability to handle input perturbations. As such, we analytically verify robustness and trustworthiness of DNNs to input perturbations by treating them as mixed-integer linear programming (MILP) problems. The ability of batch normalization in addressing the scalability limitations of the MILP formulation is also highlighted. The framework is validated by performing time-synchronized distribution system state estimation for a modified IEEE 34-node system and a real-world large distribution system, both of which are incompletely observed by micro-phasor measurement units.  ( 2 min )

This paper introduces a novel approach to leverage the generalizability capability of Diffusion Models for Source-Free Domain Adaptation (DM-SFDA). Our proposed DM-SFDA method involves fine-tuning a pre-trained text-to-image diffusion model to generate source domain images using features from the target images to guide the diffusion process. Specifically, the pre-trained diffusion model is fine-tuned to generate source samples that minimize entropy and maximize confidence for the pre-trained source model. We then apply established unsupervised domain adaptation techniques to align the generated source images with target domain data. We validate our approach through comprehensive experiments across a range of datasets, including Office-31, Office-Home, and VisDA. The results highlight significant improvements in SFDA performance, showcasing the potential of diffusion models in generating contextually relevant, domain-specific images.  ( 2 min )

Choosing appropriate hyperparameters plays a crucial role in the success of neural networks as hyper-parameters directly control the behavior and performance of the training algorithms. To obtain efficient tuning, Bayesian optimization methods based on Gaussian process (GP) models are widely used. Despite numerous applications of Bayesian optimization in deep learning, the existing methodologies are developed based on a convenient but restrictive assumption that the tuning parameters are independent of each other. However, tuning parameters with conditional dependence are common in practice. In this paper, we focus on two types of them: branching and nested parameters. Nested parameters refer to those tuning parameters that exist only within a particular setting of another tuning parameter, and a parameter within which other parameters are nested is called a branching parameter. To capture the conditional dependence between branching and nested parameters, a unified Bayesian optimization framework is proposed. The sufficient conditions are rigorously derived to guarantee the validity of the kernel function, and the asymptotic convergence of the proposed optimization framework is proven under the continuum-armed-bandit setting. Based on the new GP model, which accounts for the dependent structure among input variables through a new kernel function, higher prediction accuracy and better optimization efficiency are observed in a series of synthetic simulations and real data applications of neural networks. Sensitivity analysis is also performed to provide insights into how changes in hyperparameter values affect prediction accuracy.  ( 2 min )

We propose a novel white-box approach to hyper-parameter optimization. Motivated by recent work establishing a relationship between flat minima and generalization, we first establish a relationship between the strong convexity of the loss and its flatness. Based on this, we seek to find hyper-parameter configurations that improve flatness by minimizing the strong convexity of the loss. By using the structure of the underlying neural network, we derive closed-form equations to approximate the strong convexity parameter, and attempt to find hyper-parameters that minimize it in a randomized fashion. Through experiments on 14 classification datasets, we show that our method achieves strong performance at a fraction of the runtime.  ( 2 min )

We present a theoretical and empirical analysis of the adaptive entry point selection for graph-based approximate nearest neighbor search (ANNS). We introduce novel concepts: $b\textit{-monotonic path}$ and $B\textit{-MSNET}$, which better capture an actual graph in practical algorithms than existing concepts like MSNET. We prove that adaptive entry point selection offers better performance upper bound than the fixed central entry point under more general conditions than previous work. Empirically, we validate the method's effectiveness in accuracy, speed, and memory usage across various datasets, especially in challenging scenarios with out-of-distribution data and hard instances. Our comprehensive study provides deeper insights into optimizing entry points for graph-based ANNS for real-world high-dimensional data applications.  ( 2 min )

Instruction tuning has unlocked powerful capabilities in large language models (LLMs), effectively using combined datasets to develop generalpurpose chatbots. However, real-world applications often require a specialized suite of skills (e.g., reasoning). The challenge lies in identifying the most relevant data from these extensive datasets to effectively develop specific capabilities, a setting we frame as targeted instruction tuning. We propose LESS, an optimizer-aware and practically efficient algorithm to effectively estimate data influences and perform Low-rank gradiEnt Similarity Search for instruction data selection. Crucially, LESS adapts existing influence formulations to work with the Adam optimizer and variable-length instruction data. LESS first constructs a highly reusable and transferable gradient datastore with low-dimensional gradient features and then selects examples based on their similarity to few-shot examples embodying a specific capability. Experiments show that training on a LESS-selected 5% of the data can often outperform training on the full dataset across diverse downstream tasks. Furthermore, the selected data is highly transferable: smaller models can be leveraged to select useful data for larger models and models from different families. Our qualitative analysis shows that our method goes beyond surface form cues to identify data that exemplifies the necessary reasoning skills for the intended downstream application.  ( 2 min )

Graph Neural Networks (GNNs) have received increasing attention due to their ability to learn from graph-structured data. To open the black-box of these deep learning models, post-hoc instance-level explanation methods have been proposed to understand GNN predictions. These methods seek to discover substructures that explain the prediction behavior of a trained GNN. In this paper, we show analytically that for a large class of explanation tasks, conventional approaches, which are based on the principle of graph information bottleneck (GIB), admit trivial solutions that do not align with the notion of explainability. Instead, we argue that a modified GIB principle may be used to avoid the aforementioned trivial solutions. We further introduce a novel factorized explanation model with theoretical performance guarantees. The modified GIB is used to analyze the structural properties of the proposed factorized explainer. We conduct extensive experiments on both synthetic and real-world datasets to validate the effectiveness of our proposed factorized explainer.  ( 2 min )

We study a model of machine teaching where the teacher mapping is constructed from a size function on both concepts and examples. The main question in machine teaching is the minimum number of examples needed for any concept, the so-called teaching dimension. A recent paper [7] conjectured that the worst case for this model, as a function of the size of the concept class, occurs when the consistency matrix contains the binary representations of numbers from zero and up. In this paper we prove their conjecture. The result can be seen as a generalization of a theorem resolving the edge isoperimetry problem for hypercubes [12], and our proof is based on a lemma of [10].  ( 2 min )

This paper introduces the first theoretical framework for quantifying the efficiency and performance gain opportunity size of adaptive inference algorithms. We provide new approximate and exact bounds for the achievable efficiency and performance gains, supported by empirical evidence demonstrating the potential for 10-100x efficiency improvements in both Computer Vision and Natural Language Processing tasks without incurring any performance penalties. Additionally, we offer insights on improving achievable efficiency gains through the optimal selection and design of adaptive inference state spaces.  ( 2 min )

Recently, neural networks utilizing periodic activation functions have been proven to demonstrate superior performance in vision tasks compared to traditional ReLU-activated networks. However, there is still a limited understanding of the underlying reasons for this improved performance. In this paper, we aim to address this gap by providing a theoretical understanding of periodically activated networks through an analysis of their Neural Tangent Kernel (NTK). We derive bounds on the minimum eigenvalue of their NTK in the finite width setting, using a fairly general network architecture which requires only one wide layer that grows at least linearly with the number of data samples. Our findings indicate that periodically activated networks are \textit{notably more well-behaved}, from the NTK perspective, than ReLU activated networks. Additionally, we give an application to the memorization capacity of such networks and verify our theoretical predictions empirically. Our study offers a deeper understanding of the properties of periodically activated neural networks and their potential in the field of deep learning.  ( 2 min )

In recent years there is a growing effort to provide learning algorithms for spectrum collaboration. In this paper we present a medium access control protocol which allows spectrum collaboration with minimal regret and high spectral efficiency in highly loaded networks. We present a fully-distributed algorithm for spectrum collaboration in congested ad-hoc networks. The algorithm jointly solves both the channel allocation and access scheduling problems. We prove that the algorithm has an optimal logarithmic regret. Based on the algorithm we provide a medium access control protocol which allows distributed implementation of the algorithm in ad-hoc networks. The protocol utilizes single-channel opportunistic carrier sensing to carry out a low-complexity distributed auction in time and frequency. We also discuss practical implementation issues such as bounded frame size and speed of convergence. Computer simulations comparing the algorithm to state-of-the-art distributed medium access control protocols show the significant advantage of the proposed scheme.  ( 2 min )

Light plays a vital role in vision either human or machine vision, the perceived color is always based on the lighting conditions of the surroundings. Researchers are working to enhance the color detection techniques for the application of computer vision. They have implemented proposed several methods using different color detection approaches but still, there is a gap that can be filled. To address this issue, a color detection method, which is based on a Convolutional Neural Network (CNN), is proposed. Firstly, image segmentation is performed using the edge detection segmentation technique to specify the object and then the segmented object is fed to the Convolutional Neural Network trained to detect the color of an object in different lighting conditions. It is experimentally verified that our method can substantially enhance the robustness of color detection in different lighting conditions, and our method performed better results than existing methods.  ( 2 min )

Bayesian optimization (BO) offers an elegant approach for efficiently optimizing black-box functions. However, acquisition criteria demand their own challenging inner-optimization, which can induce significant overhead. Many practical BO methods, particularly in high dimension, eschew a formal, continuous optimization of the acquisition function and instead search discretely over a finite set of space-filling candidates. Here, we propose to use candidates which lie on the boundary of the Voronoi tessellation of the current design points, so they are equidistant to two or more of them. We discuss strategies for efficient implementation by directly sampling the Voronoi boundary without explicitly generating the tessellation, thus accommodating large designs in high dimension. On a battery of test problems optimized via Gaussian processes with expected improvement, our proposed approach significantly improves the execution time of a multi-start continuous search without a loss in accuracy.  ( 2 min )

Fine-tuning is becoming widely used for leveraging the power of pre-trained foundation models in new downstream tasks. While there are many successes of fine-tuning on various tasks, recent studies have observed challenges in the generalization of fine-tuned models to unseen distributions (i.e., out-of-distribution; OOD). To improve OOD generalization, some previous studies identify the limitations of fine-tuning data and regulate fine-tuning to preserve the general representation learned from pre-training data. However, potential limitations in the pre-training data and models are often ignored. In this paper, we contend that overly relying on the pre-trained representation may hinder fine-tuning from learning essential representations for downstream tasks and thus hurt its OOD generalization. It can be especially catastrophic when new tasks are from different (sub)domains compared to pre-training data. To address the issues in both pre-training and fine-tuning data, we propose a novel generalizable fine-tuning method LEVI, where the pre-trained model is adaptively ensembled layer-wise with a small task-specific model, while preserving training and inference efficiencies. By combining two complementing models, LEVI effectively suppresses problematic features in both the fine-tuning data and pre-trained model and preserves useful features for new tasks. Broad experiments with large language and vision models show that LEVI greatly improves fine-tuning generalization via emphasizing different views from fine-tuning data and pre-trained features.  ( 2 min )

Privacy-utility tradeoff remains as one of the fundamental issues of differentially private machine learning. This paper introduces a geometrically inspired kernel-based approach to mitigate the accuracy-loss issue in classification. In this approach, a representation of the affine hull of given data points is learned in Reproducing Kernel Hilbert Spaces (RKHS). This leads to a novel distance measure that hides privacy-sensitive information about individual data points and improves the privacy-utility tradeoff via significantly reducing the risk of membership inference attacks. The effectiveness of the approach is demonstrated through experiments on MNIST dataset, Freiburg groceries dataset, and a real biomedical dataset. It is verified that the approach remains computationally practical. The application of the approach to federated learning is considered and it is observed that the accuracy-loss due to data being distributed is either marginal or not significantly high.  ( 2 min )

Although many deep learning (DL) algorithms have been proposed for the IMU-based HAR domain, traditional machine learning that utilizes handcrafted time series features (TSFs) still often performs well. It is not rare that combinations among DL and TSFs show better accuracy than DL-only approaches. However, there is a problem with time series features in IMU-based HAR. The amount of derived features can vary greatly depending on the method used to select the 3D basis. Fortunately, DL's strengths include capturing the features of input data and adaptively deriving parameters. Thus, as a new DNN model for IMU-based human activity recognition (HAR), this paper proposes rTsfNet, a DNN model with Multi-head 3D Rotation and Time Series Feature Extraction. rTsfNet automatically selects 3D bases from which features should be derived by extracting 3D rotation parameters within the DNN. Then, time series features (TSFs), based on many researchers' wisdom, are derived to achieve HAR using MLP. Although rTsfNet is a model that does not use CNN, it achieved higher accuracy than existing models under well-managed benchmark conditions and multiple datasets: UCI HAR, PAMAP2, Daphnet, and OPPORTUNITY, all of which target different activities.  ( 3 min )

The burgeoning fields of robot learning and embodied AI have triggered an increasing demand for large quantities of data. However, collecting sufficient unbiased data from the target domain remains a challenge due to costly data collection processes and stringent safety requirements. Consequently, researchers often resort to data from easily accessible source domains, such as simulation and laboratory environments, for cost-effective data acquisition and rapid model iteration. Nevertheless, the environments and embodiments of these source domains can be quite different from their target domain counterparts, underscoring the need for effective cross-domain policy transfer approaches. In this paper, we conduct a systematic review of existing cross-domain policy transfer methods. Through a nuanced categorization of domain gaps, we encapsulate the overarching insights and design considerations of each problem setting. We also provide a high-level discussion about the key methodologies used in cross-domain policy transfer problems. Lastly, we summarize the open challenges that lie beyond the capabilities of current paradigms and discuss potential future directions in this field.  ( 2 min )

Predictive coding networks are neuroscience-inspired models with roots in both Bayesian statistics and neuroscience. Training such models, however, is quite inefficient and unstable. In this work, we show how by simply changing the temporal scheduling of the update rule for the synaptic weights leads to an algorithm that is much more efficient and stable than the original one, and has theoretical guarantees in terms of convergence. The proposed algorithm, that we call incremental predictive coding (iPC) is also more biologically plausible than the original one, as it it fully automatic. In an extensive set of experiments, we show that iPC constantly performs better than the original formulation on a large number of benchmarks for image classification, as well as for the training of both conditional and masked language models, in terms of test accuracy, efficiency, and convergence with respect to a large set of hyperparameters.  ( 2 min )

Adversarial examples arose as a challenge for machine learning. To hinder them, most defenses alter how models are trained (e.g., adversarial training) or inference is made (e.g., randomized smoothing). Still, while these approaches markedly improve models' adversarial robustness, models remain highly susceptible to adversarial examples. Identifying that, in certain domains such as traffic-sign recognition, objects are implemented per standards specifying how artifacts (e.g., signs) should be designed, we propose a novel approach for improving adversarial robustness. Specifically, we offer a method to redefine standards, making minor changes to existing ones, to defend against adversarial examples. We formulate the problem of artifact design as a robust optimization problem, and propose gradient-based and greedy search methods to solve it. We evaluated our approach in the domain of traffic-sign recognition, allowing it to alter traffic-sign pictograms (i.e., symbols within the signs) and their colors. We found that, combined with adversarial training, our approach led to up to 25.18\% higher robust accuracy compared to state-of-the-art methods against two adversary types, while further increasing accuracy on benign inputs.  ( 2 min )

Modeling large scenes from unconstrained images has proven to be a major challenge in computer vision. Existing methods tackling in-the-wild scene modeling operate in closed-world settings, where no conditioning on priors acquired from real-world images is present. We propose RefinedFields, which is, to the best of our knowledge, the first method leveraging pre-trained models to improve in-the-wild scene modeling. We employ pre-trained networks to refine K-Planes representations via optimization guidance using an alternating training procedure. We carry out extensive experiments and verify the merit of our method on synthetic data and real tourism photo collections. RefinedFields enhances rendered scenes with richer details and outperforms previous work on the task of novel view synthesis in the wild. Our project page can be found at https://refinedfields.github.io .  ( 2 min )

An extension of the Hawkes process, the Marked Hawkes process distinguishes itself by featuring variable jump size across each event, in contrast to the constant jump size observed in a Hawkes process without marks. While extensive literature has been dedicated to the non-parametric estimation of both the linear and non-linear Hawkes process, there remains a significant gap in the literature regarding the marked Hawkes process. In response to this, we propose a methodology for estimating the conditional intensity of the marked Hawkes process. We introduce two distinct models: \textit{Shallow Neural Hawkes with marks}- for Hawkes processes with excitatory kernels and \textit{Neural Network for Non-Linear Hawkes with Marks}- for non-linear Hawkes processes. Both these approaches take the past arrival times and their corresponding marks as the input to obtain the arrival intensity. This approach is entirely non-parametric, preserving the interpretability associated with the marked Hawkes process. To validate the efficacy of our method, we subject the method to synthetic datasets with known ground truth. Additionally, we apply our method to model cryptocurrency order book data, demonstrating its applicability to real-world scenarios.  ( 2 min )

Post-training quantization (PTQ) reduces the memory footprint of LLMs by quantizing their weights to low-precision. In this work, we introduce QuIP#, a weight-only PTQ method that achieves state-of-the-art results in extreme compression regimes ($\le$ 4 bits per weight) using three novel techniques. First, QuIP# improves the incoherence processing from QuIP by using the randomized Hadamard transform, which is faster and has better theoretical properties. Second, QuIP# uses vector quantization techniques to take advantage of the ball-shaped sub-Gaussian distribution that incoherent weights possess: specifically, we introduce a set of hardware-efficient codebooks based on the highly symmetric $E_8$ lattice, which achieves the optimal 8-dimension unit ball packing. Third, QuIP# uses fine-tuning to improve fidelity to the original model. Our experiments show that QuIP# outperforms existing PTQ methods, enables new behaviors in PTQ scaling, and supports fast inference.  ( 2 min )

This work studies machine learning for electron density prediction, which is fundamental for understanding chemical systems and density functional theory (DFT) simulations. To this end, we introduce the Gaussian plane-wave neural operator (GPWNO), which operates in the infinite-dimensional functional space using the plane-wave and Gaussian-type orbital bases, widely recognized in the context of DFT. In particular, both high- and low-frequency components of the density can be effectively represented due to the complementary nature of the two bases. Extensive experiments on QM9, MD, and material project datasets demonstrate GPWNO's superior performance over ten baselines.  ( 2 min )

The introduction of AI and ML technologies into medical devices has revolutionized healthcare diagnostics and treatments. Medical device manufacturers are keen to maximize the advantages afforded by AI and ML by consolidating multiple applications onto a single platform. However, concurrent execution of several AI applications, each with its own visualization components, leads to unpredictable end-to-end latency, primarily due to GPU resource contentions. To mitigate this, manufacturers typically deploy separate workstations for distinct AI applications, thereby increasing financial, energy, and maintenance costs. This paper addresses these challenges within the context of NVIDIA's Holoscan platform, a real-time AI system for streaming sensor data and images. We propose a system design optimized for heterogeneous GPU workloads, encompassing both compute and graphics tasks. Our design leverages CUDA MPS for spatial partitioning of compute workloads and isolates compute and graphics processing onto separate GPUs. We demonstrate significant performance improvements across various end-to-end latency determinism metrics through empirical evaluation with real-world Holoscan medical device applications. For instance, the proposed design reduces maximum latency by 21-30% and improves latency distribution flatness by 17-25% for up to five concurrent endoscopy tool tracking AI applications, compared to a single-GPU baseline. Against a default multi-GPU setup, our optimizations decrease maximum latency by 35% for up to six concurrent applications by improving GPU utilization by 42%. This paper provides clear design insights for AI applications in the edge-computing domain including medical systems, where performance predictability of concurrent and heterogeneous GPU workloads is a critical requirement.  ( 3 min )

Autoencoders are a prominent model in many empirical branches of machine learning and lossy data compression. However, basic theoretical questions remain unanswered even in a shallow two-layer setting. In particular, to what degree does a shallow autoencoder capture the structure of the underlying data distribution? For the prototypical case of the 1-bit compression of sparse Gaussian data, we prove that gradient descent converges to a solution that completely disregards the sparse structure of the input. Namely, the performance of the algorithm is the same as if it was compressing a Gaussian source - with no sparsity. For general data distributions, we give evidence of a phase transition phenomenon in the shape of the gradient descent minimizer, as a function of the data sparsity: below the critical sparsity level, the minimizer is a rotation taken uniformly at random (just like in the compression of non-sparse data); above the critical sparsity, the minimizer is the identity (up to a permutation). Finally, by exploiting a connection with approximate message passing algorithms, we show how to improve upon Gaussian performance for the compression of sparse data: adding a denoising function to a shallow architecture already reduces the loss provably, and a suitable multi-layer decoder leads to a further improvement. We validate our findings on image datasets, such as CIFAR-10 and MNIST.  ( 3 min )

In the pursuit of novel catalyst development to address pressing environmental concerns and energy demand, conventional design and optimization methods often fall short due to the complexity and vastness of the catalyst parameter space. The advent of Machine Learning (ML) has ushered in a new era in the field of catalyst optimization, offering potential solutions to the shortcomings of traditional techniques. However, existing methods fail to effectively harness the wealth of information contained within the burgeoning body of scientific literature on catalyst synthesis. To address this gap, this study proposes an innovative Artificial Intelligence (AI) workflow that integrates Large Language Models (LLMs), Bayesian optimization, and an active learning loop to expedite and enhance catalyst optimization. Our methodology combines advanced language understanding with robust optimization strategies, effectively translating knowledge extracted from diverse literature into actionable parameters for practical experimentation and optimization. In this article, we demonstrate the application of this AI workflow in the optimization of catalyst synthesis for ammonia production. The results underscore the workflow's ability to streamline the catalyst development process, offering a swift, resource-efficient, and high-precision alternative to conventional methods.  ( 2 min )

Space-based gravitational wave detection is one of the most anticipated gravitational wave (GW) detection projects in the next decade, which is promising to detect abundant compact binary systems. However, the precise prediction of space GW waveforms remains unexplored. To solve the data processing difficulty in the increasing waveform complexity caused by detectors' response and second-generation time-delay interferometry (TDI 2.0), an interpretable pre-trained large model named CBS-GPT (Compact Binary Systems Waveform Generation with Generative Pre-trained Transformer) is proposed. For compact binary system waveforms, three models were trained to predict the waveforms of massive black hole binary (MBHB), extreme mass-ratio inspirals (EMRIs), and galactic binary (GB), achieving prediction accuracies of 99%, 91%, and 99%, respectively at most.The CBS-GPT model exhibits notable generalization and interpretability, with its hidden parameters effectively capturing the intricate information of waveforms, even with complex instrument response and a wide parameter range. Our research demonstrates the potential of large pre-trained models in gravitational wave realm, opening up new opportunities and guidance for future researches such as the complex waveforms generation, gap completion, and deep learning model design for GW science.  ( 2 min )

This work studies algorithms for learning from aggregate responses. We focus on the construction of aggregation sets (called bags in the literature) for event-level loss functions. We prove for linear regression and generalized linear models (GLMs) that the optimal bagging problem reduces to one-dimensional size-constrained $k$-means clustering. Further, we theoretically quantify the advantage of using curated bags over random bags. We then propose the PriorBoost algorithm, which adaptively forms bags of samples that are increasingly homogeneous with respect to (unobserved) individual responses to improve model quality. We study label differential privacy for aggregate learning, and we also provide extensive experiments showing that PriorBoost regularly achieves optimal model quality for event-level predictions, in stark contrast to non-adaptive algorithms.  ( 2 min )

We study the problem of training diffusion models to sample from a distribution with a given unnormalized density or energy function. We benchmark several diffusion-structured inference methods, including simulation-based variational approaches and off-policy methods (continuous generative flow networks). Our results shed light on the relative advantages of existing algorithms while bringing into question some claims from past work. We also propose a novel exploration strategy for off-policy methods, based on local search in the target space with the use of a replay buffer, and show that it improves the quality of samples on a variety of target distributions. Our code for the sampling methods and benchmarks studied is made public at https://github.com/GFNOrg/gfn-diffusion as a base for future work on diffusion models for amortized inference.  ( 2 min )

Medical imaging faces challenges such as limited spatial resolution, interference from electronic noise and poor contrast-to-noise ratios. Photon Counting Computed Tomography (PCCT) has emerged as a solution, addressing these issues with its innovative technology. This review delves into the recent developments and applications of PCCT in pre-clinical research, emphasizing its potential to overcome traditional imaging limitations. For example PCCT has demonstrated remarkable efficacy in improving the detection of subtle abnormalities in breast, providing a level of detail previously unattainable. Examining the current literature on PCCT, it presents a comprehensive analysis of the technology, highlighting the main features of scanners and their varied applications. In addition, it explores the integration of deep learning into PCCT, along with the study of radiomic features, presenting successful applications in data processing. While acknowledging these advances, it also discusses the existing challenges in this field, paving the way for future research and improvements in medical imaging technologies. Despite the limited number of articles on this subject, due to the recent integration of PCCT at a clinical level, its potential benefits extend to various diagnostic applications.  ( 2 min )

We propose a comprehensive sample-based method for assessing the quality of generative models. The proposed approach enables the estimation of the probability that two sets of samples are drawn from the same distribution, providing a statistically rigorous method for assessing the performance of a single generative model or the comparison of multiple competing models trained on the same dataset. This comparison can be conducted by dividing the space into non-overlapping regions and comparing the number of data samples in each region. The method only requires samples from the generative model and the test data. It is capable of functioning directly on high-dimensional data, obviating the need for dimensionality reduction. Significantly, the proposed method does not depend on assumptions regarding the density of the true distribution, and it does not rely on training or fitting any auxiliary models. Instead, it focuses on approximating the integral of the density (probability mass) across various sub-regions within the data space.  ( 2 min )

The biological functions of proteins often depend on dynamic structural ensembles. In this work, we develop a flow-based generative modeling approach for learning and sampling the conformational landscapes of proteins. We repurpose highly accurate single-state predictors such as AlphaFold and ESMFold and fine-tune them under a custom flow matching framework to obtain sequence-conditoned generative models of protein structure called AlphaFlow and ESMFlow. When trained and evaluated on the PDB, our method provides a superior combination of precision and diversity compared to AlphaFold with MSA subsampling. When further trained on ensembles from all-atom MD, our method accurately captures conformational flexibility, positional distributions, and higher-order ensemble observables for unseen proteins. Moreover, our method can diversify a static PDB structure with faster wall-clock convergence to certain equilibrium properties than replicate MD trajectories, demonstrating its potential as a proxy for expensive physics-based simulations. Code is available at https://github.com/bjing2016/alphaflow.  ( 2 min )

Large Language Models (LLMs) have recently become proficient in addressing complex tasks by utilizing their rich internal knowledge and reasoning ability. Consequently, this complexity hinders traditional input-focused explanation algorithms for explaining the complex decision-making processes of LLMs. Recent advancements have thus emerged for self-explaining their predictions through a single feed-forward inference in a natural language format. However, natural language explanations are often criticized for lack of faithfulness since these explanations may not accurately reflect the decision-making behaviors of the LLMs. In this work, we introduce a generative explanation framework, xLLM, to improve the faithfulness of the explanations provided in natural language formats for LLMs. Specifically, we propose an evaluator to quantify the faithfulness of natural language explanation and enhance the faithfulness by an iterative optimization process of xLLM, with the goal of maximizing the faithfulness scores. Experiments conducted on three NLU datasets demonstrate that xLLM can significantly improve the faithfulness of generated explanations, which are in alignment with the behaviors of LLMs.  ( 2 min )

Although the computing power of mobile devices is increasing, machine learning models are also growing in size. This trend creates problems for mobile devices due to limitations like their memory capacity and battery life. While many services, like ChatGPT and Midjourney, run all the inferences in the cloud, we believe a flexible and fine-grained task distribution is more desirable. In this work, we consider model segmentation as a solution to improving the user experience, dividing the computation between mobile devices and the cloud in a way that offloads the compute-heavy portion of the model while minimizing the data transfer required. We show that the division not only reduces the wait time for users but can also be fine-tuned to optimize the workloads of the cloud. To achieve that, we design a scheduler that collects information about network quality, client device capability, and job requirements, making decisions to achieve consistent performance across a range of devices while reducing the work the cloud needs to perform.  ( 2 min )

We present a novel approach to accelerate stochastic gradient descent (SGD) by utilizing curvature information obtained from Hessian-vector products or finite differences of parameters and gradients, similar to the BFGS algorithm. Our approach involves two preconditioners: a matrix-free preconditioner and a low-rank approximation preconditioner. We update both preconditioners online using a criterion that is robust to stochastic gradient noise and does not require line search or damping. To preserve the corresponding symmetry or invariance, our preconditioners are constrained to certain connected Lie groups. The Lie group's equivariance property simplifies the preconditioner fitting process, while its invariance property eliminates the need for damping, which is commonly required in second-order optimizers. As a result, the learning rate for parameter updating and the step size for preconditioner fitting are naturally normalized, and their default values work well in most scenarios. Our proposed approach offers a promising direction for improving the convergence of SGD with low computational overhead. We demonstrate that Preconditioned SGD (PSGD) outperforms SoTA on Vision, NLP, and RL tasks across multiple modern deep-learning architectures. We have provided code for reproducing toy and large scale experiments in this paper.  ( 2 min )

Pre-trained Vision-Language Models (VLMs) are able to understand visual concepts, describe and decompose complex tasks into sub-tasks, and provide feedback on task completion. In this paper, we aim to leverage these capabilities to support the training of reinforcement learning (RL) agents. In principle, VLMs are well suited for this purpose, as they can naturally analyze image-based observations and provide feedback (reward) on learning progress. However, inference in VLMs is computationally expensive, so querying them frequently to compute rewards would significantly slowdown the training of an RL agent. To address this challenge, we propose a framework named Code as Reward (VLM-CaR). VLM-CaR produces dense reward functions from VLMs through code generation, thereby significantly reducing the computational burden of querying the VLM directly. We show that the dense rewards generated through our approach are very accurate across a diverse set of discrete and continuous environments, and can be more effective in training RL policies than the original sparse environment rewards.  ( 2 min )

Graph condensation aims to reduce the size of a large-scale graph dataset by synthesizing a compact counterpart without sacrificing the performance of Graph Neural Networks (GNNs) trained on it, which has shed light on reducing the computational cost for training GNNs. Nevertheless, existing methods often fall short of accurately replicating the original graph for certain datasets, thereby failing to achieve the objective of lossless condensation. To understand this phenomenon, we investigate the potential reasons and reveal that the previous state-of-the-art trajectory matching method provides biased and restricted supervision signals from the original graph when optimizing the condensed one. This significantly limits both the scale and efficacy of the condensed graph. In this paper, we make the first attempt toward \textit{lossless graph condensation} by bridging the previously neglected supervision signals. Specifically, we employ a curriculum learning strategy to train expert trajectories with more diverse supervision signals from the original graph, and then effectively transfer the information into the condensed graph with expanding window matching. Moreover, we design a loss function to further extract knowledge from the expert trajectories. Theoretical analysis justifies the design of our method and extensive experiments verify its superiority across different datasets. Code is released at https://github.com/NUS-HPC-AI-Lab/GEOM.  ( 3 min )

In Federated Learning (FL), the distributed nature and heterogeneity of client data present both opportunities and challenges. While collaboration among clients can significantly enhance the learning process, not all collaborations are beneficial; some may even be detrimental. In this study, we introduce a novel algorithm that assigns adaptive aggregation weights to clients participating in FL training, identifying those with data distributions most conducive to a specific learning objective. We demonstrate that our aggregation method converges no worse than the method that aggregates only the updates received from clients with the same data distribution. Furthermore, empirical evaluations consistently reveal that collaborations guided by our algorithm outperform traditional FL approaches. This underscores the critical role of judicious client selection and lays the foundation for more streamlined and effective FL implementations in the coming years.  ( 2 min )

Bioinformatics has witnessed a paradigm shift with the increasing integration of artificial intelligence (AI), particularly through the adoption of foundation models (FMs). These AI techniques have rapidly advanced, addressing historical challenges in bioinformatics such as the scarcity of annotated data and the presence of data noise. FMs are particularly adept at handling large-scale, unlabeled data, a common scenario in biological contexts due to the time-consuming and costly nature of experimentally determining labeled data. This characteristic has allowed FMs to excel and achieve notable results in various downstream validation tasks, demonstrating their ability to represent diverse biological entities effectively. Undoubtedly, FMs have ushered in a new era in computational biology, especially in the realm of deep learning. The primary goal of this survey is to conduct a systematic investigation and summary of FMs in bioinformatics, tracing their evolution, current research status, and the methodologies employed. Central to our focus is the application of FMs to specific biological problems, aiming to guide the research community in choosing appropriate FMs for their research needs. We delve into the specifics of the problem at hand including sequence analysis, structure prediction, function annotation, and multimodal integration, comparing the structures and advancements against traditional methods. Furthermore, the review analyses challenges and limitations faced by FMs in biology, such as data noise, model explainability, and potential biases. Finally, we outline potential development paths and strategies for FMs in future biological research, setting the stage for continued innovation and application in this rapidly evolving field. This comprehensive review serves not only as an academic resource but also as a roadmap for future explorations and applications of FMs in biology.  ( 3 min )

In many problems, the measured variables (e.g., image pixels) are just mathematical functions of the hidden causal variables (e.g., the underlying concepts or objects). For the purpose of making predictions in changing environments or making proper changes to the system, it is helpful to recover the hidden causal variables $Z_i$ and their causal relations represented by graph $\mathcal{G}_Z$. This problem has recently been known as causal representation learning. This paper is concerned with a general, completely nonparametric setting of causal representation learning from multiple distributions (arising from heterogeneous data or nonstationary time series), without assuming hard interventions behind distribution changes. We aim to develop general solutions in this fundamental case; as a by product, this helps see the unique benefit offered by other assumptions such as parametric causal models or hard interventions. We show that under the sparsity constraint on the recovered graph over the latent variables and suitable sufficient change conditions on the causal influences, interestingly, one can recover the moralized graph of the underlying directed acyclic graph, and the recovered latent variables and their relations are related to the underlying causal model in a specific, nontrivial way. In some cases, each latent variable can even be recovered up to component-wise transformations. Experimental results verify our theoretical claims.  ( 2 min )

Optimal transport aims to learn a mapping of sources to targets by minimizing the cost, which is typically defined as a function of distance. The solution to this problem consists of straight line segments optimally connecting sources to targets, and it does not exhibit branching. These optimal solutions are in stark contrast with both natural, and man-made transportation networks, where branching structures are prevalent. Here we discuss a fast heuristic branching method for optimal transport in networks. We also provide several numerical applications to synthetic examples, a simplified cardiovascular network, and the "Santa Claus" distribution network which includes 141,182 cities around the world, with known location and population.  ( 2 min )

The diverse agents in multi-agent perception systems may be from different companies. Each company might use the identical classic neural network architecture based encoder for feature extraction. However, the data source to train the various agents is independent and private in each company, leading to the Distribution Gap of different private data for training distinct agents in multi-agent perception system. The data silos by the above Distribution Gap could result in a significant performance decline in multi-agent perception. In this paper, we thoroughly examine the impact of the distribution gap on existing multi-agent perception systems. To break the data silos, we introduce the Feature Distribution-aware Aggregation (FDA) framework for cross-domain learning to mitigate the above Distribution Gap in multi-agent perception. FDA comprises two key components: Learnable Feature Compensation Module and Distribution-aware Statistical Consistency Module, both aimed at enhancing intermediate features to minimize the distribution gap among multi-agent features. Intensive experiments on the public OPV2V and V2XSet datasets underscore FDA's effectiveness in point cloud-based 3D object detection, presenting it as an invaluable augmentation to existing multi-agent perception systems.  ( 2 min )

Human Activity Recognition (HAR) models often suffer from performance degradation in real-world applications due to distribution shifts in activity patterns across individuals. Test-Time Adaptation (TTA) is an emerging learning paradigm that aims to utilize the test stream to adjust predictions in real-time inference, which has not been explored in HAR before. However, the high computational cost of optimization-based TTA algorithms makes it intractable to run on resource-constrained edge devices. In this paper, we propose an Optimization-Free Test-Time Adaptation (OFTTA) framework for sensor-based HAR. OFTTA adjusts the feature extractor and linear classifier simultaneously in an optimization-free manner. For the feature extractor, we propose Exponential DecayTest-time Normalization (EDTN) to replace the conventional batch normalization (CBN) layers. EDTN combines CBN and Test-time batch Normalization (TBN) to extract reliable features against domain shifts with TBN's influence decreasing exponentially in deeper layers. For the classifier, we adjust the prediction by computing the distance between the feature and the prototype, which is calculated by a maintained support set. In addition, the update of the support set is based on the pseudo label, which can benefit from reliable features extracted by EDTN. Extensive experiments on three public cross-person HAR datasets and two different TTA settings demonstrate that OFTTA outperforms the state-of-the-art TTA approaches in both classification performance and computational efficiency. Finally, we verify the superiority of our proposed OFTTA on edge devices, indicating possible deployment in real applications. Our code is available at https://github.com/Claydon-Wang/OFTTA.  ( 3 min )

In this paper, we prove the first Bayesian regret bounds for Thompson Sampling in reinforcement learning in a multitude of settings. We simplify the learning problem using a discrete set of surrogate environments, and present a refined analysis of the information ratio using posterior consistency. This leads to an upper bound of order $\widetilde{O}(H\sqrt{d_{l_1}T})$ in the time inhomogeneous reinforcement learning problem where $H$ is the episode length and $d_{l_1}$ is the Kolmogorov $l_1-$dimension of the space of environments. We then find concrete bounds of $d_{l_1}$ in a variety of settings, such as tabular, linear and finite mixtures, and discuss how how our results are either the first of their kind or improve the state-of-the-art.  ( 2 min )

Humans often acquire new skills through observation and imitation. For robotic agents, learning from the plethora of unlabeled video demonstration data available on the Internet necessitates imitating the expert without access to its action, presenting a challenge known as Imitation Learning from Observations (ILfO). A common approach to tackle ILfO problems is to convert them into inverse reinforcement learning problems, utilizing a proxy reward computed from the agent's and the expert's observations. Nonetheless, we identify that tasks characterized by a progress dependency property pose significant challenges for such approaches; in these tasks, the agent needs to initially learn the expert's preceding behaviors before mastering the subsequent ones. Our investigation reveals that the main cause is that the reward signals assigned to later steps hinder the learning of initial behaviors. To address this challenge, we present a novel ILfO framework that enables the agent to master earlier behaviors before advancing to later ones. We introduce an Automatic Discount Scheduling (ADS) mechanism that adaptively alters the discount factor in reinforcement learning during the training phase, prioritizing earlier rewards initially and gradually engaging later rewards only when the earlier behaviors have been mastered. Our experiments, conducted on nine Meta-World tasks, demonstrate that our method significantly outperforms state-of-the-art methods across all tasks, including those that are unsolvable by them.  ( 3 min )

The Simplified General Perturbations 4 (SGP4) orbital propagation method is widely used for predicting the positions and velocities of Earth-orbiting objects rapidly and reliably. Despite continuous refinement, SGP models still lack the precision of numerical propagators, which offer significantly smaller errors. This study presents dSGP4, a novel differentiable version of SGP4 implemented using PyTorch. By making SGP4 differentiable, dSGP4 facilitates various space-related applications, including spacecraft orbit determination, state conversion, covariance transformation, state transition matrix computation, and covariance propagation. Additionally, dSGP4's PyTorch implementation allows for embarrassingly parallel orbital propagation across batches of Two-Line Element Sets (TLEs), leveraging the computational power of CPUs, GPUs, and advanced hardware for distributed prediction of satellite positions at future times. Furthermore, dSGP4's differentiability enables integration with modern machine learning techniques. Thus, we propose a novel orbital propagation paradigm, ML-dSGP4, where neural networks are integrated into the orbital propagator. Through stochastic gradient descent, this combined model's inputs, outputs, and parameters can be iteratively refined, surpassing SGP4's precision. Neural networks act as identity operators by default, adhering to SGP4's behavior. However, dSGP4's differentiability allows fine-tuning with ephemeris data, enhancing precision while maintaining computational speed. This empowers satellite operators and researchers to train the model using specific ephemeris or high-precision numerical propagation data, significantly advancing orbital prediction capabilities.  ( 2 min )

Tree-based machine learning models, such as decision trees and random forests, have been hugely successful in classification tasks primarily because of their predictive power in supervised learning tasks and ease of interpretation. Despite their popularity and power, these models have been found to produce unexpected or discriminatory outcomes. Given their overwhelming success for most tasks, it is of interest to identify sources of their unexpected and discriminatory behavior. However, there has not been much work on understanding and debugging tree-based classifiers in the context of fairness. We introduce FairDebugger, a system that utilizes recent advances in machine unlearning research to identify training data subsets responsible for instances of fairness violations in the outcomes of a random forest classifier. FairDebugger generates top-$k$ explanations (in the form of coherent training data subsets) for model unfairness. Toward this goal, FairDebugger first utilizes machine unlearning to estimate the change in the tree structures of the random forest when parts of the underlying training data are removed, and then leverages the Apriori algorithm from frequent itemset mining to reduce the subset search space. We empirically evaluate our approach on three real-world datasets, and demonstrate that the explanations generated by FairDebugger are consistent with insights from prior studies on these datasets.  ( 2 min )

Masked Autoencoder (MAE) has demonstrated superior performance on various vision tasks via randomly masking image patches and reconstruction. However, effective data augmentation strategies for MAE still remain open questions, different from those in contrastive learning that serve as the most important part. This paper studies the prevailing mixing augmentation for MAE. We first demonstrate that naive mixing will in contrast degenerate model performance due to the increase of mutual information (MI). To address, we propose homologous recognition, an auxiliary pretext task, not only to alleviate the MI increasement by explicitly requiring each patch to recognize homologous patches, but also to perform object-aware self-supervised pre-training for better downstream dense perception performance. With extensive experiments, we demonstrate that our proposed Mixed Autoencoder (MixedAE) achieves the state-of-the-art transfer results among masked image modeling (MIM) augmentations on different downstream tasks with significant efficiency. Specifically, our MixedAE outperforms MAE by +0.3% accuracy, +1.7 mIoU and +0.9 AP on ImageNet-1K, ADE20K and COCO respectively with a standard ViT-Base. Moreover, MixedAE surpasses iBOT, a strong MIM method combined with instance discrimination, while accelerating training by 2x. To our best knowledge, this is the very first work to consider mixing for MIM from the perspective of pretext task design. Code will be made available.  ( 2 min )

Training on large-scale graphs has achieved remarkable results in graph representation learning, but its cost and storage have raised growing concerns. As one of the most promising directions, graph condensation methods address these issues by employing gradient matching, aiming to condense the full graph into a more concise yet information-rich synthetic set. Though encouraging, these strategies primarily emphasize matching directions of the gradients, which leads to deviations in the training trajectories. Such deviations are further magnified by the differences between the condensation and evaluation phases, culminating in accumulated errors, which detrimentally affect the performance of the condensed graphs. In light of this, we propose a novel graph condensation method named \textbf{C}raf\textbf{T}ing \textbf{R}ationa\textbf{L} trajectory (\textbf{CTRL}), which offers an optimized starting point closer to the original dataset's feature distribution and a more refined strategy for gradient matching. Theoretically, CTRL can effectively neutralize the impact of accumulated errors on the performance of condensed graphs. We provide extensive experiments on various graph datasets and downstream tasks to support the effectiveness of CTRL. Code is released at https://github.com/NUS-HPC-AI-Lab/CTRL.  ( 3 min )

Deep Generative Models (DGMs) have been shown to be powerful tools for generating tabular data, as they have been increasingly able to capture the complex distributions that characterize them. However, to generate realistic synthetic data, it is often not enough to have a good approximation of their distribution, as it also requires compliance with constraints that encode essential background knowledge on the problem at hand. In this paper, we address this limitation and show how DGMs for tabular data can be transformed into Constrained Deep Generative Models (C-DGMs), whose generated samples are guaranteed to be compliant with the given constraints. This is achieved by automatically parsing the constraints and transforming them into a Constraint Layer (CL) seamlessly integrated with the DGM. Our extensive experimental analysis with various DGMs and tasks reveals that standard DGMs often violate constraints, some exceeding $95\%$ non-compliance, while their corresponding C-DGMs are never non-compliant. Then, we quantitatively demonstrate that, at training time, C-DGMs are able to exploit the background knowledge expressed by the constraints to outperform their standard counterparts with up to $6.5\%$ improvement in utility and detection. Further, we show how our CL does not necessarily need to be integrated at training time, as it can be also used as a guardrail at inference time, still producing some improvements in the overall performance of the models. Finally, we show that our CL does not hinder the sample generation time of the models.  ( 3 min )

Large-scale recordings of neural activity are providing new opportunities to study neural population dynamics. A powerful method for analyzing such high-dimensional measurements is to deploy an algorithm to learn the low-dimensional latent dynamics. LFADS (Latent Factor Analysis via Dynamical Systems) is a deep learning method for inferring latent dynamics from high-dimensional neural spiking data recorded simultaneously in single trials. This method has shown a remarkable performance in modeling complex brain signals with an average inference latency in milliseconds. As our capacity of simultaneously recording many neurons is increasing exponentially, it is becoming crucial to build capacity for deploying low-latency inference of the computing algorithms. To improve the real-time processing ability of LFADS, we introduce an efficient implementation of the LFADS models onto Field Programmable Gate Arrays (FPGA). Our implementation shows an inference latency of 41.97 $\mu$s for processing the data in a single trial on a Xilinx U55C.  ( 2 min )

To enhance the efficiency and practicality of federated bandit learning, recent advances have introduced incentives to motivate communication among clients, where a client participates only when the incentive offered by the server outweighs its participation cost. However, existing incentive mechanisms naively assume the clients are truthful: they all report their true cost and thus the higher cost one participating client claims, the more the server has to pay. Therefore, such mechanisms are vulnerable to strategic clients aiming to optimize their own utility by misreporting. To address this issue, we propose an incentive compatible (i.e., truthful) communication protocol, named Truth-FedBan, where the incentive for each participant is independent of its self-reported cost, and reporting the true cost is the only way to achieve the best utility. More importantly, Truth-FedBan still guarantees the sub-linear regret and communication cost without any overheads. In other words, the core conceptual contribution of this paper is, for the first time, demonstrating the possibility of simultaneously achieving incentive compatibility and nearly optimal regret in federated bandit learning. Extensive numerical studies further validate the effectiveness of our proposed solution.  ( 2 min )

Graph transformers typically lack direct pair-to-pair communication, instead forcing neighboring pairs to exchange information via a common node. We propose the Triplet Graph Transformer (TGT) that enables direct communication between two neighboring pairs in a graph via novel triplet attention and aggregation mechanisms. TGT is applied to molecular property prediction by first predicting interatomic distances from 2D graphs and then using these distances for downstream tasks. A novel three-stage training procedure and stochastic inference further improve training efficiency and model performance. Our model achieves new state-of-the-art (SOTA) results on open challenge benchmarks PCQM4Mv2 and OC20 IS2RE. We also obtain SOTA results on QM9, MOLPCBA, and LIT-PCBA molecular property prediction benchmarks via transfer learning. We also demonstrate the generality of TGT with SOTA results on the traveling salesman problem (TSP).  ( 2 min )

The quest to improve scalar performance numbers on predetermined benchmarks seems to be deeply engraved in deep learning. However, the real world is seldom carefully curated and applications are seldom limited to excelling on test sets. A practical system is generally required to recognize novel concepts, refrain from actively including uninformative data, and retain previously acquired knowledge throughout its lifetime. Despite these key elements being rigorously researched individually, the study of their conjunction, open world lifelong learning, is only a recent trend. To accelerate this multifaceted field's exploration, we introduce its first monolithic and much-needed baseline. Leveraging the ubiquitous use of batch normalization across deep neural networks, we propose a deceptively simple yet highly effective way to repurpose standard models for open world lifelong learning. Through extensive empirical evaluation, we highlight why our approach should serve as a future standard for models that are able to effectively maintain their knowledge, selectively focus on informative data, and accelerate future learning.  ( 2 min )

Diffusion models have emerged as a powerful tool rivaling GANs in generating high-quality samples with improved fidelity, flexibility, and robustness. A key component of these models is to learn the score function through score matching. Despite empirical success on various tasks, it remains unclear whether gradient-based algorithms can learn the score function with a provable accuracy. As a first step toward answering this question, this paper establishes a mathematical framework for analyzing score estimation using neural networks trained by gradient descent. Our analysis covers both the optimization and the generalization aspects of the learning procedure. In particular, we propose a parametric form to formulate the denoising score-matching problem as a regression with noisy labels. Compared to the standard supervised learning setup, the score-matching problem introduces distinct challenges, including unbounded input, vector-valued output, and an additional time variable, preventing existing techniques from being applied directly. In this paper, we show that with a properly designed neural network architecture, the score function can be accurately approximated by a reproducing kernel Hilbert space induced by neural tangent kernels. Furthermore, by applying an early-stopping rule for gradient descent and leveraging certain coupling arguments between neural network training and kernel regression, we establish the first generalization error (sample complexity) bounds for learning the score function despite the presence of noise in the observations. Our analysis is grounded in a novel parametric form of the neural network and an innovative connection between score matching and regression analysis, facilitating the application of advanced statistical and optimization techniques.  ( 3 min )

This thesis proposes and describes a research attempt at designing and developing a speaker independent spontaneous automatic speech recognition system for Tigrigna The acoustic model of the Speech Recognition System is developed using Carnegie Mellon University Automatic Speech Recognition development tool (Sphinx) while the SRIM tool is used for the development of the language model. Keywords Automatic Speech Recognition Tigrigna language  ( 2 min )

Reinforcement learning (RL) with sparse and deceptive rewards is challenging because non-zero rewards are rarely obtained. Hence, the gradient calculated by the agent can be stochastic and without valid information. Recent studies that utilize memory buffers of previous experiences can lead to a more efficient learning process. However, existing methods often require these experiences to be successful and may overly exploit them, which can cause the agent to adopt suboptimal behaviors. This paper develops an approach that uses diverse past trajectories for faster and more efficient online RL, even if these trajectories are suboptimal or not highly rewarded. The proposed algorithm combines a policy improvement step with an additional exploration step using offline demonstration data. The main contribution of this paper is that by regarding diverse past trajectories as guidance, instead of imitating them, our method directs its policy to follow and expand past trajectories while still being able to learn without rewards and approach optimality. Furthermore, a novel diversity measurement is introduced to maintain the team's diversity and regulate exploration. The proposed algorithm is evaluated on discrete and continuous control tasks with sparse and deceptive rewards. Compared with the existing RL methods, the experimental results indicate that our proposed algorithm is significantly better than the baseline methods regarding diverse exploration and avoiding local optima.  ( 2 min )

Research surveys have always posed a challenge for beginner researchers who lack of research training. These researchers struggle to understand the directions within their research topic, and the discovery of new research findings within a short time. One way to provide intuitive assistance to beginner researchers is by offering relevant knowledge graphs(KG) and recommending related academic papers. However, existing navigation knowledge graphs primarily rely on keywords in the research field and often fail to present the logical hierarchy among multiple related papers clearly. Moreover, most recommendation systems for academic papers simply rely on high text similarity, which can leave researchers confused as to why a particular article is being recommended. They may lack of grasp important information about the insight connection between "Issue resolved" and "Issue finding" that they hope to obtain. To address these issues, this study aims to support research insight surveys for beginner researchers by establishing a hierarchical tree-structured knowledge graph that reflects the inheritance insight of research topics and the relevance insight among the academic papers.  ( 2 min )

Counterfactual explanations provide individuals with cost-optimal actions that can alter their labels to desired classes. However, if substantial instances seek state modification, such individual-centric methods can lead to new competitions and unanticipated costs. Furthermore, these recommendations, disregarding the underlying data distribution, may suggest actions that users perceive as outliers. To address these issues, our work proposes a collective approach for formulating counterfactual explanations, with an emphasis on utilizing the current density of the individuals to inform the recommended actions. Our problem naturally casts as an optimal transport problem. Leveraging the extensive literature on optimal transport, we illustrate how this collective method improves upon the desiderata of classical counterfactual explanations. We support our proposal with numerical simulations, illustrating the effectiveness of the proposed approach and its relation to classic methods.  ( 2 min )

Cardiovascular diseases are a major cause of mortality globally, and electrocardiograms (ECGs) are crucial for diagnosing them. Traditionally, ECGs are printed on paper. However, these printouts, even when scanned, are incompatible with advanced ECG diagnosis software that require time-series data. Digitizing ECG images is vital for training machine learning models in ECG diagnosis and to leverage the extensive global archives collected over decades. Deep learning models for image processing are promising in this regard, although the lack of clinical ECG archives with reference time-series data is challenging. Data augmentation techniques using realistic generative data models provide a solution. We introduce ECG-Image-Kit, an open-source toolbox for generating synthetic multi-lead ECG images with realistic artifacts from time-series data. The tool synthesizes ECG images from real time-series data, applying distortions like text artifacts, wrinkles, and creases on a standard ECG paper background. As a case study, we used ECG-Image-Kit to create a dataset of 21,801 ECG images from the PhysioNet QT database. We developed and trained a combination of a traditional computer vision and deep neural network model on this dataset to convert synthetic images into time-series data for evaluation. We assessed digitization quality by calculating the signal-to-noise ratio (SNR) and compared clinical parameters like QRS width, RR, and QT intervals recovered from this pipeline, with the ground truth extracted from ECG time-series. The results show that this deep learning pipeline accurately digitizes paper ECGs, maintaining clinical parameters, and highlights a generative approach to digitization. This toolbox currently supports data augmentation for the 2024 PhysioNet Challenge, focusing on digitizing and classifying paper ECG images.  ( 3 min )

Good arm identification (GAI) is a pure-exploration bandit problem in which a single learner outputs an arm as soon as it is identified as a good arm. A good arm is defined as an arm with an expected reward greater than or equal to a given threshold. This paper focuses on the GAI problem under a small threshold gap, which refers to the distance between the expected rewards of arms and the given threshold. We propose a new algorithm called lil'HDoC to significantly improve the total sample complexity of the HDoC algorithm. We demonstrate that the sample complexity of the first $\lambda$ output arm in lil'HDoC is bounded by the original HDoC algorithm, except for one negligible term, when the distance between the expected reward and threshold is small. Extensive experiments confirm that our algorithm outperforms the state-of-the-art algorithms in both synthetic and real-world datasets.  ( 2 min )

Quantile regression (QR) is a statistical tool for distribution-free estimation of conditional quantiles of a target variable given explanatory features. QR is limited by the assumption that the target distribution is univariate and defined on an Euclidean domain. Although the notion of quantiles was recently extended to multi-variate distributions, QR for multi-variate distributions on manifolds remains underexplored, even though many important applications inherently involve data distributed on, e.g., spheres (climate and geological phenomena), and tori (dihedral angles in proteins). By leveraging optimal transport theory and c-concave functions, we meaningfully define conditional vector quantile functions of high-dimensional variables on manifolds (M-CVQFs). Our approach allows for quantile estimation, regression, and computation of conditional confidence sets and likelihoods. We demonstrate the approach's efficacy and provide insights regarding the meaning of non-Euclidean quantiles through synthetic and real data experiments.  ( 2 min )

In this paper, we present a novel method that reduces model inference latency during distributed deployment of Large Language Models (LLMs). Our contribution is an optimized inference deployment scheme that address the current limitations of state-of-the-art quantization kernels when used in conjunction with Tensor Parallel (TP). Our method preserves data locality in GPU memory access patterns and exploits a priori knowledge of TP to reduce global communication. We demonstrate an up to 1.81x speedup over existing methods for Llama-70B and up to 1.78x speedup for IBM WatsonX's Granite-20B MLP layer problem sizes on A100 and H100 NVIDIA DGX Systems for a variety of TP settings.  ( 2 min )

Dataset distillation (DD) has emerged as a widely adopted technique for crafting a synthetic dataset that captures the essential information of a training dataset, facilitating the training of accurate neural models. Its applications span various domains, including transfer learning, federated learning, and neural architecture search. The most popular methods for constructing the synthetic data rely on matching the convergence properties of training the model with the synthetic dataset and the training dataset. However, targeting the training dataset must be thought of as auxiliary in the same sense that the training set is an approximate substitute for the population distribution, and the latter is the data of interest. Yet despite its popularity, an aspect that remains unexplored is the relationship of DD to its generalization, particularly across uncommon subgroups. That is, how can we ensure that a model trained on the synthetic dataset performs well when faced with samples from regions with low population density? Here, the representativeness and coverage of the dataset become salient over the guaranteed training error at inference. Drawing inspiration from distributionally robust optimization, we introduce an algorithm that combines clustering with the minimization of a risk measure on the loss to conduct DD. We provide a theoretical rationale for our approach and demonstrate its effective generalization and robustness across subgroups through numerical experiments.  ( 2 min )

Length generalization -- the ability to generalize to longer sequences than ones seen during training, and compositional generalization -- the ability to generalize to token combinations not seen during training, are crucial forms of out-of-distribution generalization in sequence-to-sequence models. In this work, we take the first steps towards provable length and compositional generalization for a range of architectures, including deep sets, transformers, state space models, and simple recurrent neural nets. Depending on the architecture, we prove different degrees of representation identification, e.g., a linear or a permutation relation with ground truth representation, is necessary for length and compositional generalization.  ( 2 min )

Fairness and privacy are two important values machine learning (ML) practitioners often seek to operationalize in models. Fairness aims to reduce model bias for social/demographic sub-groups. Privacy via differential privacy (DP) mechanisms, on the other hand, limits the impact of any individual's training data on the resulting model. The trade-offs between privacy and fairness goals of trustworthy ML pose a challenge to those wishing to address both. We show that DP amplifies gender, racial, and religious bias when fine-tuning large language models (LLMs), producing models more biased than ones fine-tuned without DP. We find the cause of the amplification to be a disparity in convergence of gradients across sub-groups. Through the case of binary gender bias, we demonstrate that Counterfactual Data Augmentation (CDA), a known method for addressing bias, also mitigates bias amplification by DP. As a consequence, DP and CDA together can be used to fine-tune models while maintaining both fairness and privacy.  ( 2 min )

N:M Structured sparsity has garnered significant interest as a result of relatively modest overhead and improved efficiency. Additionally, this form of sparsity holds considerable appeal for reducing the memory footprint owing to their modest representation overhead. There have been efforts to develop training recipes for N:M structured sparsity, they primarily focus on low-sparsity regions ($\sim$50\%). Nonetheless, performance of models trained using these approaches tends to decline when confronted with high-sparsity regions ($>$80\%). In this work, we study the effectiveness of existing sparse training recipes at \textit{high-sparsity regions} and argue that these methods fail to sustain the model quality on par with low-sparsity regions. We demonstrate that the significant factor contributing to this disparity is the presence of elevated levels of induced noise in the gradient magnitudes. To mitigate this undesirable effect, we employ decay mechanisms to progressively restrict the flow of gradients towards pruned elements. Our approach improves the model quality by up to 2$\%$ and 5$\%$ in vision and language models at high sparsity regime, respectively. We also evaluate the trade-off between model accuracy and training compute cost in terms of FLOPs. At iso-training FLOPs, our method yields better performance compared to conventional sparse training recipes, exhibiting an accuracy improvement of up to 2$\%$. The source code is available at https://github.com/abhibambhaniya/progressive_gradient_flow_nm_sparsity.  ( 3 min )

Decision tree learning is increasingly being used for pointwise inference. Important applications include causal heterogenous treatment effects and dynamic policy decisions, as well as conditional quantile regression and design of experiments, where tree estimation and inference is conducted at specific values of the covariates. In this paper, we call into question the use of decision trees (trained by adaptive recursive partitioning) for such purposes by demonstrating that they can fail to achieve polynomial rates of convergence in uniform norm with non-vanishing probability, even with pruning. Instead, the convergence may be arbitrarily slow or, in some important special cases, such as honest regression trees, fail completely. We show that random forests can remedy the situation, turning poor performing trees into nearly optimal procedures, at the cost of losing interpretability and introducing two additional tuning parameters. The two hallmarks of random forests, subsampling and the random feature selection mechanism, are seen to each distinctively contribute to achieving nearly optimal performance for the model class considered.  ( 2 min )

Online planning is crucial for high performance in many complex sequential decision-making tasks. Monte Carlo Tree Search (MCTS) employs a principled mechanism for trading off exploration for exploitation for efficient online planning, and it outperforms comparison methods in many discrete decision-making domains such as Go, Chess, and Shogi. Subsequently, extensions of MCTS to continuous domains have been developed. However, the inherent high branching factor and the resulting explosion of the search tree size are limiting the existing methods. To address this problem, we propose Continuous Monte Carlo Graph Search (CMCGS), an extension of MCTS to online planning in environments with continuous state and action spaces. CMCGS takes advantage of the insight that, during planning, sharing the same action policy between several states can yield high performance. To implement this idea, at each time step, CMCGS clusters similar states into a limited number of stochastic action bandit nodes, which produce a layered directed graph instead of an MCTS search tree. Experimental evaluation shows that CMCGS outperforms comparable planning methods in several complex continuous DeepMind Control Suite benchmarks and 2D navigation and exploration tasks with limited sample budgets. Furthermore, CMCGS can be scaled up through parallelization, and it outperforms the Cross-Entropy Method (CEM) in continuous control with learned dynamics models.  ( 2 min )

Post-training quantization (PTQ) and quantization-aware training (QAT) methods are gaining popularity in mitigating the high memory and computational costs associated with Large Language Models (LLMs). In resource-constrained scenarios, PTQ, with its reduced training overhead, is often preferred over QAT, despite the latter's potential for higher accuracy. Meanwhile, parameter-efficient fine-tuning (PEFT) methods like low-rank adaptation (LoRA) have been introduced, and recent efforts have explored quantization-aware PEFT techniques. However, these approaches may lack generality due to their reliance on the pre-quantized model's configuration. Their effectiveness may be compromised by non-linearly quantized or mixed-precision weights, and the retraining of specific quantization parameters might impede optimal performance. To address these challenges, we propose L4Q, an algorithm for parameter-efficient quantization-aware training. L4Q leverages LoRA-wise learned quantization step size for LLMs, aiming to enhance generality. The simultaneous quantization-and-fine-tuning process of L4Q is applicable to high-precision models, yielding linearly quantized weights with superior accuracy. Our experiments, conducted on the LLaMA and LLaMA2 model families using an instructional dataset, showcase L4Q's capabilities in language comprehension and few-shot in-context learning, achieving sub-4-bit precision while maintaining comparable training times to applying PEFT on a quantized model.  ( 2 min )

We study the loss landscape of both shallow and deep, mildly overparameterized ReLU neural networks on a generic finite input dataset for the squared error loss. We show both by count and volume that most activation patterns correspond to parameter regions with no bad local minima. Furthermore, for one-dimensional input data, we show most activation regions realizable by the network contain a high dimensional set of global minima and no bad local minima. We experimentally confirm these results by finding a phase transition from most regions having full rank Jacobian to many regions having deficient rank depending on the amount of overparameterization.  ( 2 min )

A domain adaptation technique has been proposed in this paper to identify the emotions in generic images containing facial & non-facial objects and non-human components. It addresses the challenge of the insufficient availability of pre-trained models and well-annotated datasets for image emotion recognition (IER). It starts with proposing a facial emotion recognition (FER) system and then moves on to adapting it for image emotion recognition. First, a deep-learning-based FER system has been proposed that classifies a given facial image into discrete emotion classes. Further, an image recognition system has been proposed that adapts the proposed FER system to recognize the emotions portrayed by images using domain adaptation. It classifies the generic images into 'happy,' 'sad,' 'hate,' and 'anger' classes. A novel interpretability approach, Divide and Conquer based Shap (DnCShap), has also been proposed to interpret the highly relevant visual features for emotion recognition. The proposed system's architecture has been decided through ablation studies, and the experiments are conducted on four FER and four IER datasets. The proposed IER system has shown an emotion classification accuracy of 59.61% for the IAPSa dataset, 57.83% for the ArtPhoto dataset, 67.93% for the FI dataset, and 55.13% for the EMOTIC dataset. The important visual features leading to a particular emotion class have been identified, and the embedding plots for various emotion classes have been analyzed to explain the proposed system's predictions.  ( 3 min )

The burden of diseases is rising worldwide, with unequal treatment efficacy for patient populations that are underrepresented in clinical trials. Healthcare, however, is driven by the average population effect of medical treatments and, therefore, operates in a "one-size-fits-all" approach, not necessarily what best fits each patient. These facts suggest a pressing need for methodologies to study individualized treatment effects (ITE) to drive personalized treatment. Despite the increased interest in machine-learning-driven ITE estimation models, the vast majority focus on tabular data with limited review and understanding of methodologies proposed for time-series electronic health records (EHRs). To this end, this work provides an overview of ITE works for time-series data and insights into future research. The work summarizes the latest work in the literature and reviews it in light of theoretical assumptions, types of treatment settings, and computational frameworks. Furthermore, this work discusses challenges and future research directions for ITEs in a time-series setting. We hope this work opens new directions and serves as a resource for understanding one of the exciting yet under-studied research areas.  ( 2 min )

New algorithms for embedding graphs have reduced the asymptotic complexity of finding low-dimensional representations. One-Hot Graph Encoder Embedding (GEE) uses a single, linear pass over edges and produces an embedding that converges asymptotically to the spectral embedding. The scaling and performance benefits of this approach have been limited by a serial implementation in an interpreted language. We refactor GEE into a parallel program in the Ligra graph engine that maps functions over the edges of the graph and uses lock-free atomic instrutions to prevent data races. On a graph with 1.8B edges, this results in a 500 times speedup over the original implementation and a 17 times speedup over a just-in-time compiled version.  ( 2 min )

Transformer models have demonstrated high accuracy in numerous applications but have high complexity and lack sequential processing capability making them ill-suited for many streaming applications at the edge where devices are heavily resource-constrained. Thus motivated, many researchers have proposed reformulating the transformer models as RNN modules which modify the self-attention computation with explicit states. However, these approaches often incur significant performance degradation. The ultimate goal is to develop a model that has the following properties: parallel training, streaming and low-cost inference, and SOTA performance. In this paper, we propose a new direction to achieve this goal. We show how architectural modifications to a recurrent model can help push its performance toward Transformer models while retaining its sequential processing capability. Specifically, inspired by the recent success of Legendre Memory Units (LMU) in sequence learning tasks, we propose LMUFormer, which augments the LMU with convolutional patch embedding and convolutional channel mixer. Moreover, we present a spiking version of this architecture, which introduces the benefit of states within the patch embedding and channel mixer modules while simultaneously reducing the computing complexity. We evaluated our architectures on multiple sequence datasets. In comparison to SOTA transformer-based models within the ANN domain on the SCv2 dataset, our LMUFormer demonstrates comparable performance while necessitating a remarkable 53 times reduction in parameters and a substantial 65 times decrement in FLOPs. Additionally, owing to our model's proficiency in real-time data processing, we can achieve a 32.03% reduction in sequence length, all while incurring an inconsequential decline in performance. Our code is publicly available at https://github.com/zeyuliu1037/LMUFormer.git.  ( 3 min )

Graph neural networks based on iterative one-hop message passing have been shown to struggle in harnessing the information from distant nodes effectively. Conversely, graph transformers allow each node to attend to all other nodes directly, but lack graph inductive bias and have to rely on ad-hoc positional encoding. In this paper, we propose a new architecture to reconcile these challenges. Our approach stems from the recent breakthroughs in long-range modeling provided by deep state-space models on sequential data: for a given target node, our model aggregates other nodes by their shortest distances to the target and uses a linear RNN to encode the sequence of hop representations. The linear RNN is parameterized in a particular diagonal form for stable long-range signal propagation and is theoretically expressive enough to encode the neighborhood hierarchy. With no need for positional encoding, we empirically show that the performance of our model is highly competitive compared with that of state-of-the-art graph transformers on various benchmarks, with a significantly reduced computational cost.  ( 2 min )

How would randomly shuffling feature vectors among nodes from the same class affect graph neural networks (GNNs)? The feature shuffle, intuitively, perturbs the dependence between graph topology and features (A-X dependence) for GNNs to learn from. Surprisingly, we observe a consistent and significant improvement in GNN performance following the feature shuffle. Having overlooked the impact of A-X dependence on GNNs, the prior literature does not provide a satisfactory understanding of the phenomenon. Thus, we raise two research questions. First, how should A-X dependence be measured, while controlling for potential confounds? Second, how does A-X dependence affect GNNs? In response, we (i) propose a principled measure for A-X dependence, (ii) design a random graph model that controls A-X dependence, (iii) establish a theory on how A-X dependence relates to graph convolution, and (iv) present empirical analysis on real-world graphs that aligns with the theory. We conclude that A-X dependence mediates the effect of graph convolution, such that smaller dependence improves GNN-based node classification.  ( 2 min )

Recent advances in machine learning have significantly impacted the field of information extraction, with Large Language Models (LLMs) playing a pivotal role in extracting structured information from unstructured text. This paper explores the challenges and limitations of current methodologies in structured entity extraction and introduces a novel approach to address these issues. We contribute to the field by first introducing and formalizing the task of Structured Entity Extraction (SEE), followed by proposing Approximate Entity Set OverlaP (AESOP) Metric designed to appropriately assess model performance on this task. Later, we propose a new model that harnesses the power of LLMs for enhanced effectiveness and efficiency through decomposing the entire extraction task into multiple stages. Quantitative evaluation and human side-by-side evaluation confirm that our model outperforms baselines, offering promising directions for future advancements in structured entity extraction.  ( 2 min )

In tasks aiming for long-term returns, planning becomes necessary. We study generative modeling for planning with datasets repurposed from offline reinforcement learning. Specifically, we identify temporal consistency in the absence of step-wise rewards as one key technical challenge. We introduce the Latent Plan Transformer (LPT), a novel model that leverages a latent space to connect a Transformer-based trajectory generator and the final return. LPT can be learned with maximum likelihood estimation on trajectory-return pairs. In learning, posterior sampling of the latent variable naturally gathers sub-trajectories to form a consistent abstraction despite the finite context. During test time, the latent variable is inferred from an expected return before policy execution, realizing the idea of planning as inference. It then guides the autoregressive policy throughout the episode, functioning as a plan. Our experiments demonstrate that LPT can discover improved decisions from suboptimal trajectories. It achieves competitive performance across several benchmarks, including Gym-Mujoco, Maze2D, and Connect Four, exhibiting capabilities of nuanced credit assignments, trajectory stitching, and adaptation to environmental contingencies. These results validate that latent variable inference can be a strong alternative to step-wise reward prompting.  ( 2 min )

Network alignment is the task of establishing one-to-one correspondences between the nodes of different graphs and finds a plethora of applications in high-impact domains. However, this task is known to be NP-hard in its general form, and existing algorithms do not scale up as the size of the graphs increases. To tackle both challenges we propose a novel generalized graph autoencoder architecture, designed to extract powerful and robust node embeddings, that are tailored to the alignment task. We prove that the generated embeddings are associated with the eigenvalues and eigenvectors of the graphs and can achieve more accurate alignment compared to classical spectral methods. Our proposed framework also leverages transfer learning and data augmentation to achieve efficient network alignment at a very large scale without retraining. Extensive experiments on both network and sub-network alignment with real-world graphs provide corroborating evidence supporting the effectiveness and scalability of the proposed approach.  ( 2 min )

Anomaly detection in decision-making sequences is a challenging problem due to the complexity of normality representation learning and the sequential nature of the task. Most existing methods based on Reinforcement Learning (RL) are difficult to implement in the real world due to unrealistic assumptions, such as having access to environment dynamics, reward signals, and online interactions with the environment. To address these limitations, we propose an unsupervised method named Offline Imitation Learning based Anomaly Detection (OIL-AD), which detects anomalies in decision-making sequences using two extracted behaviour features: action optimality and sequential association. Our offline learning model is an adaptation of behavioural cloning with a transformer policy network, where we modify the training process to learn a Q function and a state value function from normal trajectories. We propose that the Q function and the state value function can provide sufficient information about agents' behavioural data, from which we derive two features for anomaly detection. The intuition behind our method is that the action optimality feature derived from the Q function can differentiate the optimal action from others at each local state, and the sequential association feature derived from the state value function has the potential to maintain the temporal correlations between decisions (state-action pairs). Our experiments show that OIL-AD can achieve outstanding online anomaly detection performance with up to 34.8% improvement in F1 score over comparable baselines.  ( 2 min )

Machine learning over graphs has recently attracted growing attention due to its ability to analyze and learn complex relations within critical interconnected systems. However, the disparate impact that is amplified by the use of biased graph structures in these algorithms has raised significant concerns for the deployment of them in real-world decision systems. In addition, while synthetic graph generation has become pivotal for privacy and scalability considerations, the impact of generative learning algorithms on the structural bias has not yet been investigated. Motivated by this, this work focuses on the analysis and mitigation of structural bias for both real and synthetic graphs. Specifically, we first theoretically analyze the sources of structural bias that result in disparity for the predictions of dyadic relations. To alleviate the identified bias factors, we design a novel fairness regularizer that offers a versatile use. Faced with the bias amplification in graph generation models that is brought to light in this work, we further propose a fair graph generation framework, FairWire, by leveraging our fair regularizer design in a generative model. Experimental results on real-world networks validate that the proposed tools herein deliver effective structural bias mitigation for both real and synthetic graphs.  ( 2 min )

Controllable layout generation refers to the process of creating a plausible visual arrangement of elements within a graphic design (e.g., document and web designs) with constraints representing design intentions. Although recent diffusion-based models have achieved state-of-the-art FID scores, they tend to exhibit more pronounced misalignment compared to earlier transformer-based models. In this work, we propose the $\textbf{LA}$yout $\textbf{C}$onstraint diffusion mod$\textbf{E}$l (LACE), a unified model to handle a broad range of layout generation tasks, such as arranging elements with specified attributes and refining or completing a coarse layout design. The model is based on continuous diffusion models. Compared with existing methods that use discrete diffusion models, continuous state-space design can enable the incorporation of differentiable aesthetic constraint functions in training. For conditional generation, we introduce conditions via masked input. Extensive experiment results show that LACE produces high-quality layouts and outperforms existing state-of-the-art baselines.  ( 2 min )

Recently, extensive studies in Reinforcement Learning have been carried out on the ability of transformers to adapt in-context to various environments and tasks. Current in-context RL methods are limited by their strict requirements for data, which needs to be generated by RL agents or labeled with actions from an optimal policy. In order to address this prevalent problem, we propose AD$^\varepsilon$, a new data acquisition approach that enables in-context Reinforcement Learning from noise-induced curriculum. We show that it is viable to construct a synthetic noise injection curriculum which helps to obtain learning histories. Moreover, we experimentally demonstrate that it is possible to alleviate the need for generation using optimal policies, with in-context RL still able to outperform the best suboptimal policy in a learning dataset by a 2x margin.  ( 2 min )

We study the adversarial bandit problem against arbitrary strategies, in which $S$ is the parameter for the hardness of the problem and this parameter is not given to the agent. To handle this problem, we adopt the master-base framework using the online mirror descent method (OMD). We first provide a master-base algorithm with simple OMD, achieving $\tilde{O}(S^{1/2}K^{1/3}T^{2/3})$, in which $T^{2/3}$ comes from the variance of loss estimators. To mitigate the impact of the variance, we propose using adaptive learning rates for OMD and achieve $\tilde{O}(\min\{\mathbb{E}[\sqrt{SKT\rho_T(h^\dagger)}],S\sqrt{KT}\})$, where $\rho_T(h^\dagger)$ is a variance term for loss estimators.  ( 2 min )

As IoT networks become more complex and generate massive amounts of dynamic data, it is difficult to monitor and detect anomalies using traditional statistical methods and machine learning methods. Deep learning algorithms can process and learn from large amounts of data and can also be trained using unsupervised learning techniques, meaning they don't require labelled data to detect anomalies. This makes it possible to detect new and unknown anomalies that may not have been detected before. Also, deep learning algorithms can be automated and highly scalable; thereby, they can run continuously in the backend and make it achievable to monitor large IoT networks instantly. In this work, we conduct a literature review on the most recent works using deep learning techniques and implement a model using ensemble techniques on the KDD Cup 99 dataset. The experimental results showcase the impressive performance of our deep anomaly detection model, achieving an accuracy of over 98\%.  ( 2 min )

We consider online learning in the model where a learning algorithm can access the class only via the \emph{consistent oracle} -- an oracle, that, at any moment, can give a function from the class that agrees with all examples seen so far. This model was recently considered by Assos et al.~(COLT'23). It is motivated by the fact that standard methods of online learning rely on computing the Littlestone dimension of subclasses, a computationally intractable problem. Assos et al.~gave an online learning algorithm in this model that makes at most $C^d$ mistakes on classes of Littlestone dimension $d$, for some absolute unspecified constant $C > 0$. We give a novel algorithm that makes at most $O(256^d)$ mistakes. Our proof is significantly simpler and uses only very basic properties of the Littlestone dimension. We also show that there exists no algorithm in this model that makes less than $3^d$ mistakes.  ( 2 min )

Combining the strengths of model-based iterative algorithms and data-driven deep learning solutions, deep unrolling networks (DuNets) have become a popular tool to solve inverse imaging problems. While DuNets have been successfully applied to many linear inverse problems, nonlinear problems tend to impair the performance of the method. Inspired by momentum acceleration techniques that are often used in optimization algorithms, we propose a recurrent momentum acceleration (RMA) framework that uses a long short-term memory recurrent neural network (LSTM-RNN) to simulate the momentum acceleration process. The RMA module leverages the ability of the LSTM-RNN to learn and retain knowledge from the previous gradients. We apply RMA to two popular DuNets -- the learned proximal gradient descent (LPGD) and the learned primal-dual (LPD) methods, resulting in LPGD-RMA and LPD-RMA respectively. We provide experimental results on two nonlinear inverse problems: a nonlinear deconvolution problem, and an electrical impedance tomography problem with limited boundary measurements. In the first experiment we have observed that the improvement due to RMA largely increases with respect to the nonlinearity of the problem. The results of the second example further demonstrate that the RMA schemes can significantly improve the performance of DuNets in strongly ill-posed problems.  ( 2 min )

We introduce PACOH-RL, a novel model-based Meta-Reinforcement Learning (Meta-RL) algorithm designed to efficiently adapt control policies to changing dynamics. PACOH-RL meta-learns priors for the dynamics model, allowing swift adaptation to new dynamics with minimal interaction data. Existing Meta-RL methods require abundant meta-learning data, limiting their applicability in settings such as robotics, where data is costly to obtain. To address this, PACOH-RL incorporates regularization and epistemic uncertainty quantification in both the meta-learning and task adaptation stages. When facing new dynamics, we use these uncertainty estimates to effectively guide exploration and data collection. Overall, this enables positive transfer, even when access to data from prior tasks or dynamic settings is severely limited. Our experiment results demonstrate that PACOH-RL outperforms model-based RL and model-based Meta-RL baselines in adapting to new dynamic conditions. Finally, on a real robotic car, we showcase the potential for efficient RL policy adaptation in diverse, data-scarce conditions.  ( 2 min )

Effective patient monitoring is vital for timely interventions and improved healthcare outcomes. Traditional monitoring systems often struggle to handle complex, dynamic environments with fluctuating vital signs, leading to delays in identifying critical conditions. To address this challenge, we propose a novel AI-driven patient monitoring framework using multi-agent deep reinforcement learning (DRL). Our approach deploys multiple learning agents, each dedicated to monitoring a specific physiological feature, such as heart rate, respiration, and temperature. These agents interact with a generic healthcare monitoring environment, learn the patients' behaviour patterns, and make informed decisions to alert the corresponding Medical Emergency Teams (METs) based on the level of emergency estimated. In this study, we evaluate the performance of the proposed multi-agent DRL framework using real-world physiological and motion data from two datasets: PPG-DaLiA and WESAD. We compare the results with several baseline models, including Q-Learning, PPO, Actor-Critic, Double DQN, and DDPG, as well as monitoring frameworks like WISEML and CA-MAQL. Our experiments demonstrate that the proposed DRL approach outperforms all other baseline models, achieving more accurate monitoring of patient's vital signs. Furthermore, we conduct hyperparameter optimization to fine-tune the learning process of each agent. By optimizing hyperparameters, we enhance the learning rate and discount factor, thereby improving the agents' overall performance in monitoring patient health status.  ( 3 min )

Chat dialogues contain considerable useful information about a speaker's interests, preferences, and experiences.Thus, knowledge from open-domain chat dialogue can be used to personalize various systems and offer recommendations for advanced information.This study proposed a novel framework SumRec for recommending information from open-domain chat dialogue.The study also examined the framework using ChatRec, a newly constructed dataset for training and evaluation. To extract the speaker and item characteristics, the SumRec framework employs a large language model (LLM) to generate a summary of the speaker information from a dialogue and to recommend information about an item according to the type of user.The speaker and item information are then input into a score estimation model, generating a recommendation score.Experimental results show that the SumRec framework provides better recommendations than the baseline method of using dialogues and item descriptions in their original form. Our dataset and code is publicly available at https://github.com/Ryutaro-A/SumRec  ( 2 min )

Partial label learning (PLL) is a weakly-supervised learning paradigm where each training instance is paired with a set of candidate labels (partial label), one of which is the true label. Noisy PLL (NPLL) relaxes this constraint by allowing some partial labels to not contain the true label, enhancing the practicality of the problem. Our work centers on NPLL and presents a minimalistic framework called SARI that initially assigns pseudo-labels to images by exploiting the noisy partial labels through a weighted nearest neighbour algorithm. These pseudo-label and image pairs are then used to train a deep neural network classifier with label smoothing and standard regularization techniques. The classifier's features and predictions are subsequently employed to refine and enhance the accuracy of pseudo-labels. SARI combines the strengths of Average Based Strategies (in pseudo labelling) and Identification Based Strategies (in classifier training) from the literature. We perform thorough experiments on seven datasets and compare SARI against nine NPLL and PLL methods from the prior art. SARI achieves state-of-the-art results in almost all studied settings, obtaining substantial gains in fine-grained classification and extreme noise settings.  ( 2 min )

In the rapidly evolving landscape of Large Language Models (LLMs), ensuring robust safety measures is paramount. To meet this crucial need, we propose \emph{SALAD-Bench}, a safety benchmark specifically designed for evaluating LLMs, attack, and defense methods. Distinguished by its breadth, SALAD-Bench transcends conventional benchmarks through its large scale, rich diversity, intricate taxonomy spanning three levels, and versatile functionalities.SALAD-Bench is crafted with a meticulous array of questions, from standard queries to complex ones enriched with attack, defense modifications and multiple-choice. To effectively manage the inherent complexity, we introduce an innovative evaluators: the LLM-based MD-Judge for QA pairs with a particular focus on attack-enhanced queries, ensuring a seamless, and reliable evaluation. Above components extend SALAD-Bench from standard LLM safety evaluation to both LLM attack and defense methods evaluation, ensuring the joint-purpose utility. Our extensive experiments shed light on the resilience of LLMs against emerging threats and the efficacy of contemporary defense tactics. Data and evaluator are released under \url{https://github.com/OpenSafetyLab/SALAD-BENCH}. Warning: this paper includes examples that may be offensive or harmful.  ( 2 min )

Variational dimensionality reduction methods are known for their high accuracy, generative abilities, and robustness. We introduce a framework to unify many existing variational methods and design new ones. The framework is based on an interpretation of the multivariate information bottleneck, in which an encoder graph, specifying what information to compress, is traded-off against a decoder graph, specifying a generative model. Using this framework, we rederive existing dimensionality reduction methods including the deep variational information bottleneck and variational auto-encoders. The framework naturally introduces a trade-off parameter extending the deep variational CCA (DVCCA) family of algorithms to beta-DVCCA. We derive a new method, the deep variational symmetric informational bottleneck (DVSIB), which simultaneously compresses two variables to preserve information between their compressed representations. We implement these algorithms and evaluate their ability to produce shared low dimensional latent spaces on Noisy MNIST dataset. We show that algorithms that are better matched to the structure of the data (in our case, beta-DVCCA and DVSIB) produce better latent spaces as measured by classification accuracy, dimensionality of the latent variables, and sample efficiency. We believe that this framework can be used to unify other multi-view representation learning algorithms and to derive and implement novel problem-specific loss functions.  ( 3 min )

Fragment-based drug discovery is an effective strategy for discovering drug candidates in the vast chemical space, and has been widely employed in molecular generative models. However, many existing fragment extraction methods in such models do not take the target chemical properties into account or rely on heuristic rules. Additionally, the existing fragment-based generative models cannot update the fragment vocabulary with goal-aware fragments newly discovered during the generation. To this end, we propose a molecular generative framework for drug discovery, named Goal-aware fragment Extraction, Assembly, and Modification (GEAM). GEAM consists of three modules, each responsible for goal-aware fragment extraction, fragment assembly, and fragment modification. The fragment extraction module identifies important fragments contributing to the desired target properties with the information bottleneck principle, thereby constructing an effective goal-aware fragment vocabulary. Moreover, GEAM can explore beyond the initial vocabulary with the fragment modification module, and the exploration is further enhanced through the dynamic goal-aware vocabulary update. We experimentally demonstrate that GEAM effectively discovers drug candidates through the generative cycle of the three modules in various drug discovery tasks.  ( 2 min )

Motivation: Electronic Health Records (EHR) represent a comprehensive resource of a patient's medical history. EHR are essential for utilizing advanced technologies such as deep learning (DL), enabling healthcare providers to analyze extensive data, extract valuable insights, and make precise and data-driven clinical decisions. DL methods such as Recurrent Neural Networks (RNN) have been utilized to analyze EHR to model disease progression and predict diagnosis. However, these methods do not address some inherent irregularities in EHR data such as irregular time intervals between clinical visits. Furthermore, most DL models are not interpretable. In this study, we propose two interpretable DL architectures based on RNN, namely Time-Aware RNN (TA-RNN) and TA-RNN-Autoencoder (TA-RNN-AE) to predict patient's clinical outcome in EHR at next visit and multiple visits ahead, respectively. To mitigate the impact of irregular time intervals, we propose incorporating time embedding of the elapsed times between visits. For interpretability, we propose employing a dual-level attention mechanism that operates between visits and features within each visit. Results: The results of the experiments conducted on Alzheimer's Disease Neuroimaging Initiative (ADNI) and National Alzheimer's Coordinating Center (NACC) datasets indicated superior performance of proposed models for predicting Alzheimer's Disease (AD) compared to state-of-the-art and baseline approaches based on F2 and sensitivity. Additionally, TA-RNN showed superior performance on Medical Information Mart for Intensive Care (MIMIC-III) dataset for mortality prediction. In our ablation study, we observed enhanced predictive performance by incorporating time embedding and attention mechanisms. Finally, investigating attention weights helped identify influential visits and features in predictions.  ( 3 min )

Structured (dictionary-like) data presents challenges for left-to-right language models, as they can struggle with structured entities for a wide variety of reasons such as formatting and sensitivity to the order in which attributes are presented. Tabular generative models suffer from a different set of limitations such as their lack of flexibility. We introduce Diffusion Models of Structured Knowledge (DiSK) - a new architecture and training approach specialized for structured data. DiSK handles text, categorical, and continuous numerical data using a Gaussian mixture model approach, which allows for improved precision when dealing with numbers. It employs diffusion training to model relationships between properties. Experiments demonstrate DiSK's state-of-the-art performance on tabular data modeling, synthesis, and imputation on over 15 datasets across diverse domains. DiSK provides an effective inductive bias for generative modeling and manipulation of structured data. The techniques we propose could open the door to improved knowledge manipulation in future language models.  ( 2 min )

The principle of boosting in supervised learning involves combining multiple weak classifiers to obtain a stronger classifier. AdaBoost has the reputation to be a perfect example of this approach. This study analyzes the (two classes) AdaBoost procedure implemented in scikit-learn. This paper shows that AdaBoost is an algorithm in name only, as the resulting combination of weak classifiers can be explicitly calculated using a truth table. Indeed, using a logical analysis of the training set with weak classifiers constructing a truth table, we recover, through an analytical formula, the weights of the combination of these weak classifiers obtained by the procedure. We observe that this formula does not give the point of minimum of the risk, we provide a system to compute the exact point of minimum and we check that the AdaBoost procedure in scikit-learn does not implement the algorithm described by Freund and Schapire.  ( 2 min )

Current clustering priors for deep latent variable models (DLVMs) require defining the number of clusters a-priori and are susceptible to poor initializations. Addressing these deficiencies could greatly benefit deep learning-based scRNA-seq analysis by performing integration and clustering simultaneously. We adapt the VampPrior (Tomczak & Welling, 2018) into a Dirichlet process Gaussian mixture model, resulting in the VampPrior Mixture Model (VMM), a novel prior for DLVMs. We propose an inference procedure that alternates between variational inference and Empirical Bayes to cleanly distinguish variational and prior parameters. Using the VMM in a Variational Autoencoder attains highly competitive clustering performance on benchmark datasets. Augmenting scVI (Lopez et al., 2018), a popular scRNA-seq integration method, with the VMM significantly improves its performance and automatically arranges cells into biologically meaningful clusters.  ( 2 min )

We present a theory of ensemble diversity, explaining the nature of diversity for a wide range of supervised learning scenarios. This challenge has been referred to as the holy grail of ensemble learning, an open research issue for over 30 years. Our framework reveals that diversity is in fact a hidden dimension in the bias-variance decomposition of the ensemble loss. We prove a family of exact bias-variance-diversity decompositions, for a wide range of losses in both regression and classification, e.g., squared, cross-entropy, and Poisson losses. For losses where an additive bias-variance decomposition is not available (e.g., 0/1 loss) we present an alternative approach: quantifying the effects of diversity, which turn out to be dependent on the label distribution. Overall, we argue that diversity is a measure of model fit, in precisely the same sense as bias and variance, but accounting for statistical dependencies between ensemble members. Thus, we should not be maximising diversity as so many works aim to do -- instead, we have a bias/variance/diversity trade-off to manage.  ( 2 min )

Video sequences exhibit significant nuisance variations (undesired effects) of speed of actions, temporal locations, and subjects' poses, leading to temporal-viewpoint misalignment when comparing two sets of frames or evaluating the similarity of two sequences. Thus, we propose Joint tEmporal and cAmera viewpoiNt alIgnmEnt (JEANIE) for sequence pairs. In particular, we focus on 3D skeleton sequences whose camera and subjects' poses can be easily manipulated in 3D. We evaluate JEANIE on skeletal Few-shot Action Recognition (FSAR), where matching well temporal blocks (temporal chunks that make up a sequence) of support-query sequence pairs (by factoring out nuisance variations) is essential due to limited samples of novel classes. Given a query sequence, we create its several views by simulating several camera locations. For a support sequence, we match it with view-simulated query sequences, as in the popular Dynamic Time Warping (DTW). Specifically, each support temporal block can be matched to the query temporal block with the same or adjacent (next) temporal index, and adjacent camera views to achieve joint local temporal-viewpoint warping. JEANIE selects the smallest distance among matching paths with different temporal-viewpoint warping patterns, an advantage over DTW which only performs temporal alignment. We also propose an unsupervised FSAR akin to clustering of sequences with JEANIE as a distance measure. JEANIE achieves state-of-the-art results on NTU-60, NTU-120, Kinetics-skeleton and UWA3D Multiview Activity II on supervised and unsupervised FSAR, and their meta-learning inspired fusion.  ( 3 min )

The quadratic time and memory complexity inherent to self-attention mechanisms, with respect to sequence length, presents a critical computational bottleneck in the training and deployment of large-scale Transformer-based language models. Recent theoretical results indicate the intractability of sub-quadratic softmax attention approximation under reasonable complexity assumptions. This paper addresses this challenge by first demonstrating that polynomial attention with high degree can effectively replace softmax without sacrificing model quality. Next, we develop polynomial sketching techniques from numerical linear algebra to achieve linear-time polynomial attention with approximation guarantees. Crucially, our approach achieves this speedup without requiring the sparsification of attention matrices. We also present a block-based algorithm to apply causal masking efficiently. Combining these techniques, we provide \emph{PolySketchFormer}, a practical linear-time Transformer architecture for language modeling that offers provable guarantees. We validate PolySketchFormer empirically by training language models capable of handling long contexts. These experiments utilize both synthetic and real-world datasets (PG19, Wikipedia and C4) on Google Cloud TPUs. For context lengths of 32k and GPT-2 style models, our model achieves a 2.5-4x speedup in training compared to FlashAttention, with no observed degradation in quality across our experiments.  ( 2 min )

Deep Neural Networks (DNNs) have revolutionized a wide range of industries, from healthcare and finance to automotive, by offering unparalleled capabilities in data analysis and decision-making. Despite their transforming impact, DNNs face two critical challenges: the vulnerability to adversarial attacks and the increasing computational costs associated with more complex and larger models. In this paper, we introduce an effective method designed to simultaneously enhance adversarial robustness and execution efficiency. Unlike prior studies that enhance robustness via uniformly injecting noise, we introduce a non-uniform noise injection algorithm, strategically applied at each DNN layer to disrupt adversarial perturbations introduced in attacks. By employing approximation techniques, our approach identifies and protects essential neurons while strategically introducing noise into non-essential neurons. Our experimental results demonstrate that our method successfully enhances both robustness and efficiency across several attack scenarios, model architectures, and datasets.  ( 2 min )

Generating long-form 44.1kHz stereo audio from text prompts can be computationally demanding. Further, most previous works do not tackle that music and sound effects naturally vary in their duration. Our research focuses on the efficient generation of long-form, variable-length stereo music and sounds at 44.1kHz using text prompts with a generative model. Stable Audio is based on latent diffusion, with its latent defined by a fully-convolutional variational autoencoder. It is conditioned on text prompts as well as timing embeddings, allowing for fine control over both the content and length of the generated music and sounds. Stable Audio is capable of rendering stereo signals of up to 95 sec at 44.1kHz in 8 sec on an A100 GPU. Despite its compute efficiency and fast inference, it is one of the best in two public text-to-music and -audio benchmarks and, differently from state-of-the-art models, can generate music with structure and stereo sounds.  ( 2 min )

In forensic investigations of machine learning models, techniques that determine a model's data domain play an essential role, with prior work relying on large-scale corpora like ImageNet to approximate the target model's domain. Although such methods are effective in finding broad domains, they often struggle in identifying finer-grained classes within those domains. In this paper, we introduce an enhanced approach to determine not just the general data domain (e.g., human face) but also its specific attributes (e.g., wearing glasses). Our approach uses an image embedding model as the encoder and a generative model as the decoder. Beginning with a coarse-grained description, the decoder generates a set of images, which are then presented to the unknown target model. Successful classifications by the model guide the encoder to refine the description, which in turn, are used to produce a more specific set of images in the subsequent iteration. This iterative refinement narrows down the exact class of interest. A key strength of our approach lies in leveraging the expansive dataset, LAION-5B, on which the generative model Stable Diffusion is trained. This enlarges our search space beyond traditional corpora, such as ImageNet. Empirical results showcase our method's performance in identifying specific attributes of a model's input domain, paving the way for more detailed forensic analyses of deep learning models.  ( 2 min )

The conventional discourse on existential risks (x-risks) from AI typically focuses on abrupt, dire events caused by advanced AI systems, particularly those that might achieve or surpass human-level intelligence. These events have severe consequences that either lead to human extinction or irreversibly cripple human civilization to a point beyond recovery. This discourse, however, often neglects the serious possibility of AI x-risks manifesting incrementally through a series of smaller yet interconnected disruptions, gradually crossing critical thresholds over time. This paper contrasts the conventional "decisive AI x-risk hypothesis" with an "accumulative AI x-risk hypothesis." While the former envisions an overt AI takeover pathway, characterized by scenarios like uncontrollable superintelligence, the latter suggests a different causal pathway to existential catastrophes. This involves a gradual accumulation of critical AI-induced threats such as severe vulnerabilities and systemic erosion of econopolitical structures. The accumulative hypothesis suggests a boiling frog scenario where incremental AI risks slowly converge, undermining resilience until a triggering event results in irreversible collapse. Through systems analysis, this paper examines the distinct assumptions differentiating these two hypotheses. It is then argued that the accumulative view reconciles seemingly incompatible perspectives on AI risks. The implications of differentiating between these causal pathways -- the decisive and the accumulative -- for the governance of AI risks as well as long-term AI safety are discussed.  ( 2 min )

A growing awareness of multi-view learning as an important component in data science and machine learning is a consequence of the increasing prevalence of multiple views in real-world applications, especially in the context of networks. In this paper we introduce a new scalability framework for multi-view subspace clustering. An efficient optimization strategy is proposed, leveraging kernel feature maps to reduce the computational burden while maintaining good clustering performance. The scalability of the algorithm means that it can be applied to large-scale datasets, including those with millions of data points, using a standard machine, in a few minutes. We conduct extensive experiments on real-world benchmark networks of various sizes in order to evaluate the performance of our algorithm against state-of-the-art multi-view subspace clustering methods and attributed-network multi-view approaches.  ( 2 min )

Collecting large quantities of high-quality data is often prohibitively expensive or impractical, and a crucial bottleneck in machine learning. One may instead augment a small set of $n$ data points from the target distribution with data from more accessible sources like public datasets, data collected under different circumstances, or synthesized by generative models. Blurring distinctions, we refer to such data as `surrogate data'. We define a simple scheme for integrating surrogate data into training and use both theoretical models and empirical studies to explore its behavior. Our main findings are: $(i)$ Integrating surrogate data can significantly reduce the test error on the original distribution; $(ii)$ In order to reap this benefit, it is crucial to use optimally weighted empirical risk minimization; $(iii)$ The test error of models trained on mixtures of real and surrogate data is well described by a scaling law. This can be used to predict the optimal weighting and the gain from surrogate data.  ( 2 min )

This paper contains a recipe for deriving new PAC-Bayes generalisation bounds based on the $(f, \Gamma)$-divergence, and, in addition, presents PAC-Bayes generalisation bounds where we interpolate between a series of probability divergences (including but not limited to KL, Wasserstein, and total variation), making the best out of many worlds depending on the posterior distributions properties. We explore the tightness of these bounds and connect them to earlier results from statistical learning, which are specific cases. We also instantiate our bounds as training objectives, yielding non-trivial guarantees and practical performances.  ( 2 min )

Block Principal Component Analysis (Block PCA) of a data matrix A, where loadings Z are determined by maximization of AZ 2 over unit norm orthogonal loadings, is difficult to use for the design of sparse PCA by 1 regularization, due to the difficulty of taking care of both the orthogonality constraint on loadings and the non differentiable 1 penalty. Our objective in this paper is to relax the orthogonality constraint on loadings by introducing new objective functions expvar(Y) which measure the part of the variance of the data matrix A explained by correlated components Y = AZ. So we propose first a comprehensive study of mathematical and numerical properties of expvar(Y) for two existing definitions Zou et al. [2006], Shen and Huang [2008] and four new definitions. Then we show that only two of these explained variance are fit to use as objective function in block PCA formulations for A rid of orthogonality constraints.  ( 2 min )

Facing climate change, the already limited availability of drinking water will decrease in the future rendering drinking water an increasingly scarce resource. Considerable amounts of it are lost through leakages in water transportation and distribution networks. Thus, anomaly detection and localization, in particular for leakages, are crucial but challenging tasks due to the complex interactions and changing demands in water distribution networks. In this work, we analyze the effects of anomalies on the dynamics of critical infrastructure systems by modeling the networks employing Bayesian networks. We then discuss how the problem is connected to and can be considered through the lens of concept drift. In particular, we argue that model-based explanations of concept drift are a promising tool for localizing anomalies given limited information about the network. The methodology is experimentally evaluated using realistic benchmark scenarios. To showcase that our methodology applies to critical infrastructure more generally, in addition to considering leakages and sensor faults in water systems, we showcase the suitability of the derived technique to localize sensor faults in power systems.  ( 2 min )

\emph{Maximal ancestral graph} (MAGs) is a class of graphical model that extend the famous \emph{directed acyclic graph} in the presence of latent confounders. Most score-based approaches to learn the unknown MAG from empirical data rely on BIC score which suffers from instability and heavy computations. We propose to use the framework of imsets \citep{studeny2006probabilistic} to score MAGs using empirical entropy estimation and the newly proposed \emph{refined Markov property} \citep{hu2023towards}. Our graphical search procedure is similar to \citet{claassen2022greedy} but improved from our theoretical results. We show that our search algorithm is polynomial in number of nodes by restricting degree, maximal head size and number of discriminating paths. In simulated experiment, our algorithm shows superior performance compared to other state of art MAG learning algorithms.  ( 2 min )

Over the past decade, deep learning research has been accelerated by increasingly powerful hardware, which facilitated rapid growth in the model complexity and the amount of data ingested. This is becoming unsustainable and therefore refocusing on efficiency is necessary. In this paper, we employ transfer learning to improve training efficiency for large-scale spatial problems. We propose that a convolutional neural network (CNN) can be trained on small windows of signals, but evaluated on arbitrarily large signals with little to no performance degradation, and provide a theoretical bound on the resulting generalization error. Our proof leverages shift-equivariance of CNNs, a property that is underexploited in transfer learning. The theoretical results are experimentally supported in the context of mobile infrastructure on demand (MID). The proposed approach is able to tackle MID at large scales with hundreds of agents, which was computationally intractable prior to this work.  ( 2 min )

Most of the existing diffusion models use Gaussian noise for training and sampling across all time steps, which may not optimally account for the frequency contents reconstructed by the denoising network. Despite the diverse applications of correlated noise in computer graphics, its potential for improving the training process has been underexplored. In this paper, we introduce a novel and general class of diffusion models taking correlated noise within and across images into account. More specifically, we propose a time-varying noise model to incorporate correlated noise into the training process, as well as a method for fast generation of correlated noise mask. Our model is built upon deterministic diffusion models and utilizes blue noise to help improve the generation quality compared to using Gaussian white (random) noise only. Further, our framework allows introducing correlation across images within a single mini-batch to improve gradient flow. We perform both qualitative and quantitative evaluations on a variety of datasets using our method, achieving improvements on different tasks over existing deterministic diffusion models in terms of FID metric.  ( 2 min )

Kalman Filter (KF) is an optimal linear state prediction algorithm, with applications in fields as diverse as engineering, economics, robotics, and space exploration. Here, we develop an extension of the KF, called a Pathspace Kalman Filter (PKF) which allows us to a) dynamically track the uncertainties associated with the underlying data and prior knowledge, and b) take as input an entire trajectory and an underlying mechanistic model, and using a Bayesian methodology quantify the different sources of uncertainty. An application of this algorithm is to automatically detect temporal windows where the internal mechanistic model deviates from the data in a time-dependent manner. First, we provide theorems characterizing the convergence of the PKF algorithm. Then, we numerically demonstrate that the PKF outperforms conventional KF methods on a synthetic dataset lowering the mean-squared-error by several orders of magnitude. Finally, we apply this method to biological time-course dataset involving over 1.8 million gene expression measurements.  ( 2 min )

Imaging mass cytometry (IMC) is a relatively new technique for imaging biological tissue at subcellular resolution. In recent years, learning-based segmentation methods have enabled precise quantification of cell type and morphology, but typically rely on large datasets with fully annotated ground truth (GT) labels. This paper explores the effects of imperfect labels on learning-based segmentation models and evaluates the generalisability of these models to different tissue types. Our results show that removing 50% of cell annotations from GT masks only reduces the dice similarity coefficient (DSC) score to 0.874 (from 0.889 achieved by a model trained on fully annotated GT masks). This implies that annotation time can in fact be reduced by at least half without detrimentally affecting performance. Furthermore, training our single-tissue model on imperfect labels only decreases DSC by 0.031 on an unseen tissue type compared to its multi-tissue counterpart, with negligible qualitative differences in segmentation. Additionally, bootstrapping the worst-performing model (with 5% of cell annotations) a total of ten times improves its original DSC score of 0.720 to 0.829. These findings imply that less time and work can be put into the process of producing comparable segmentation models; this includes eliminating the need for multiple IMC tissue types during training, whilst also providing the potential for models with very few labels to improve on themselves. Source code is available on GitHub: https://github.com/kimberley/ISBI2024.  ( 3 min )

In machine learning, it is common to optimize the parameters of a probabilistic model, modulated by an ad hoc regularization term that penalizes some values of the parameters. Regularization terms appear naturally in Variational Inference, a tractable way to approximate Bayesian posteriors: the loss to optimize contains a Kullback--Leibler divergence term between the approximate posterior and a Bayesian prior. We fully characterize the regularizers that can arise according to this procedure, and provide a systematic way to compute the prior corresponding to a given penalty. Such a characterization can be used to discover constraints over the penalty function, so that the overall procedure remains Bayesian.  ( 2 min )

Learning rewards from human behaviour or feedback is a promising approach to aligning AI systems with human values but fails to consistently extract correct reward functions. Interpretability tools could enable users to understand and evaluate possible flaws in learned reward functions. We propose Counterfactual Trajectory Explanations (CTEs) to interpret reward functions in reinforcement learning by contrasting an original with a counterfactual partial trajectory and the rewards they each receive. We derive six quality criteria for CTEs and propose a novel Monte-Carlo-based algorithm for generating CTEs that optimises these quality criteria. Finally, we measure how informative the generated explanations are to a proxy-human model by training it on CTEs. CTEs are demonstrably informative for the proxy-human model, increasing the similarity between its predictions and the reward function on unseen trajectories. Further, it learns to accurately judge differences in rewards between trajectories and generalises to out-of-distribution examples. Although CTEs do not lead to a perfect understanding of the reward, our method, and more generally the adaptation of XAI methods, are presented as a fruitful approach for interpreting learned reward functions.  ( 2 min )

Modern climate projections lack adequate spatial and temporal resolution due to computational constraints. A consequence is inaccurate and imprecise predictions of critical processes such as storms. Hybrid methods that combine physics with machine learning (ML) have introduced a new generation of higher fidelity climate simulators that can sidestep Moore's Law by outsourcing compute-hungry, short, high-resolution simulations to ML emulators. However, this hybrid ML-physics simulation approach requires domain-specific treatment and has been inaccessible to ML experts because of lack of training data and relevant, easy-to-use workflows. We present ClimSim, the largest-ever dataset designed for hybrid ML-physics research. It comprises multi-scale climate simulations, developed by a consortium of climate scientists and ML researchers. It consists of 5.7 billion pairs of multivariate input and output vectors that isolate the influence of locally-nested, high-resolution, high-fidelity physics on a host climate simulator's macro-scale physical state. The dataset is global in coverage, spans multiple years at high sampling frequency, and is designed such that resulting emulators are compatible with downstream coupling into operational climate simulators. We implement a range of deterministic and stochastic regression baselines to highlight the ML challenges and their scoring. The data (https://huggingface.co/datasets/LEAP/ClimSim_high-res) and code (https://leap-stc.github.io/ClimSim) are released openly to support the development of hybrid ML-physics and high-fidelity climate simulations for the benefit of science and society.  ( 3 min )

Federated learning (FL) is increasingly being recognized as a key approach to overcoming the data silos that so frequently obstruct the training and deployment of machine-learning models in clinical settings. This work contributes to a growing body of FL research specifically focused on clinical applications along three important directions. First, we expand the FLamby benchmark (du Terrail et al., 2022a) to include evaluation of personalized FL methods and demonstrate substantive performance improvements over the original results. Next, we advocate for a comprehensive checkpointing and evaluation framework for FL to reflect practical settings and provide multiple comparison baselines. Finally, we study an important ablation of PerFCL (Zhang et al., 2022). This ablation is a natural extension of FENDA (Kim et al., 2016) to the FL setting. Experiments conducted on the FLamby benchmarks and GEMINI datasets (Verma et al., 2017) show that the approach is robust to heterogeneous clinical data and often outperforms existing global and personalized FL techniques, including PerFCL.  ( 2 min )

Reconstructing the room transfer functions needed to calculate the complex sound field in a room has several important real-world applications. However, an unpractical number of microphones is often required. Recently, in addition to classical signal processing methods, deep learning techniques have been applied to reconstruct the room transfer function starting from a very limited set of room transfer functions measured at scattered points in the room. In this study, we employ complex-valued neural networks to estimate room transfer functions in the frequency range of the first room resonances, using a few irregularly distributed microphones. To the best of our knowledge, this is the first time complex-valued neural networks are used to estimate room transfer functions. To analyze the benefits of applying complex-valued optimization to the considered task, we compare the proposed technique with a state-of-the-art real-valued neural network method and a state-of-the-art kernel-based signal processing approach for sound field reconstruction, showing that the proposed technique exhibits relevant advantages in terms of phase accuracy and overall quality of the reconstructed sound field.  ( 2 min )

Many sequential classification tasks are affected by label noise that varies over time. Such noise can cause label quality to improve, worsen, or periodically change over time. We first propose and formalize temporal label noise, an unstudied problem for sequential classification of time series. In this setting, multiple labels are recorded in sequence while being corrupted by a time-dependent noise function. We first demonstrate the importance of modelling the temporal nature of the label noise function and how existing methods will consistently underperform. We then propose methods that can train noise-tolerant classifiers by estimating the temporal label noise function directly from data. We show that our methods lead to state-of-the-art performance in the presence of diverse temporal label noise functions using real and synthetic data.  ( 2 min )

In this study, we focus on two main tasks, the first for detecting legal violations within unstructured textual data, and the second for associating these violations with potentially affected individuals. We constructed two datasets using Large Language Models (LLMs) which were subsequently validated by domain expert annotators. Both tasks were designed specifically for the context of class-action cases. The experimental design incorporated fine-tuning models from the BERT family and open-source LLMs, and conducting few-shot experiments using closed-source LLMs. Our results, with an F1-score of 62.69\% (violation identification) and 81.02\% (associating victims), show that our datasets and setups can be used for both tasks. Finally, we publicly release the datasets and the code used for the experiments in order to advance further research in the area of legal natural language processing (NLP).  ( 2 min )

In this paper, we utilize hyperspheres and regular $n$-simplexes and propose an approach to learning deep features equivariant under the transformations of $n$D reflections and rotations, encompassed by the powerful group of O$(n)$. Namely, we propose O$(n)$-equivariant neurons with spherical decision surfaces that generalize to any dimension $n$, which we call Deep Equivariant Hyperspheres. We demonstrate how to combine them in a network that directly operates on the basis of the input points and propose an invariant operator based on the relation between two points and a sphere, which as we show, turns out to be a Gram matrix. Using synthetic and real-world data in $n$D, we experimentally verify our theoretical contributions and find that our approach is superior to the competing methods for O$(n)$-equivariant benchmark datasets (classification and regression), demonstrating a favorable speed/performance trade-off.  ( 2 min )

We present EfficientViT-SAM, a new family of accelerated segment anything models. We retain SAM's lightweight prompt encoder and mask decoder while replacing the heavy image encoder with EfficientViT. For the training, we begin with the knowledge distillation from the SAM-ViT-H image encoder to EfficientViT. Subsequently, we conduct end-to-end training on the SA-1B dataset. Benefiting from EfficientViT's efficiency and capacity, EfficientViT-SAM delivers 48.9x measured TensorRT speedup on A100 GPU over SAM-ViT-H without sacrificing performance. Our code and pre-trained models are released at https://github.com/mit-han-lab/efficientvit.  ( 2 min )

Self-supervised learning (SSL) has recently emerged as a promising paradigm for training generalisable models on large-scale data in the fields of vision, text, and speech. Although SSL has been proven effective in speech and audio, its application to music audio has yet to be thoroughly explored. This is partially due to the distinctive challenges associated with modelling musical knowledge, particularly tonal and pitched characteristics of music. To address this research gap, we propose an acoustic Music undERstanding model with large-scale self-supervised Training (MERT), which incorporates teacher models to provide pseudo labels in the masked language modelling (MLM) style acoustic pre-training. In our exploration, we identified an effective combination of teacher models, which outperforms conventional speech and audio approaches in terms of performance. This combination includes an acoustic teacher based on Residual Vector Quantisation - Variational AutoEncoder (RVQ-VAE) and a musical teacher based on the Constant-Q Transform (CQT). Furthermore, we explore a wide range of settings to overcome the instability in acoustic language model pre-training, which allows our designed paradigm to scale from 95M to 330M parameters. Experimental results indicate that our model can generalise and perform well on 14 music understanding tasks and attain state-of-the-art (SOTA) overall scores.  ( 3 min )

Neural Implicit Representation (NIR) has recently gained significant attention due to its remarkable ability to encode complex and high-dimensional data into representation space and easily reconstruct it through a trainable mapping function. However, NIR methods assume a one-to-one mapping between the target data and representation models regardless of data relevancy or similarity. This results in poor generalization over multiple complex data and limits their efficiency and scalability. Motivated by continual learning, this work investigates how to accumulate and transfer neural implicit representations for multiple complex video data over sequential encoding sessions. To overcome the limitation of NIR, we propose a novel method, Progressive Fourier Neural Representation (PFNR), that aims to find an adaptive and compact sub-module in Fourier space to encode videos in each training session. This sparsified neural encoding allows the neural network to hold free weights, enabling an improved adaptation for future videos. In addition, when learning a representation for a new video, PFNR transfers the representation of previous videos with frozen weights. This design allows the model to continuously accumulate high-quality neural representations for multiple videos while ensuring lossless decoding that perfectly preserves the learned representations for previous videos. We validate our PFNR method on the UVG8/17 and DAVIS50 video sequence benchmarks and achieve impressive performance gains over strong continual learning baselines. The PFNR code is available at https://github.com/ihaeyong/PFNR.git.  ( 3 min )

Real-world visual data exhibit intrinsic hierarchical structures that can be represented effectively in hyperbolic spaces. Hyperbolic neural networks (HNNs) are a promising approach for learning feature representations in such spaces. However, current HNNs in computer vision rely on Euclidean backbones and only project features to the hyperbolic space in the task heads, limiting their ability to fully leverage the benefits of hyperbolic geometry. To address this, we present HCNN, a fully hyperbolic convolutional neural network (CNN) designed for computer vision tasks. Based on the Lorentz model, we generalize fundamental components of CNNs and propose novel formulations of the convolutional layer, batch normalization, and multinomial logistic regression. {Experiments on standard vision tasks demonstrate the promising performance of our HCNN framework in both hybrid and fully hyperbolic settings.} Overall, we believe our contributions provide a foundation for developing more powerful HNNs that can better represent complex structures found in image data. Our code is publicly available at https://github.com/kschwethelm/HyperbolicCV.  ( 2 min )

Deep neural networks are exploited using natural adversarial samples, which have no impact on human perception but are misclassified. Current approaches often rely on the white-box nature of deep neural networks to generate these adversarial samples or alter the distribution of adversarial samples compared to training distribution. To alleviate the limitations of current approaches, we propose EvoSeed, a novel evolutionary strategy-based search algorithmic framework to generate natural adversarial samples. Our EvoSeed framework uses auxiliary Diffusion and Classifier models to operate in a model-agnostic black-box setting. We employ CMA-ES to optimize the search for an adversarial seed vector, which, when processed by the Conditional Diffusion Model, results in an unrestricted natural adversarial sample misclassified by the Classifier Model. Experiments show that generated adversarial images are of high image quality and are transferable to different classifiers. Our approach demonstrates promise in enhancing the quality of adversarial samples using evolutionary algorithms. We hope our research opens new avenues to enhance the robustness of deep neural networks in real-world scenarios. Project Website can be accessed at \url{https://shashankkotyan.github.io/EvoSeed}.  ( 2 min )

Autonomous robots are often employed for data collection due to their efficiency and low labour costs. A key task in robotic data acquisition is planning paths through an initially unknown environment to collect observations given platform-specific resource constraints, such as limited battery life. Adaptive online path planning in 3D environments is challenging due to the large set of valid actions and the presence of unknown occlusions. To address these issues, we propose a novel deep reinforcement learning approach for adaptively replanning robot paths to map targets of interest in unknown 3D environments. A key aspect of our approach is a dynamically constructed graph that restricts planning actions local to the robot, allowing us to quickly react to newly discovered obstacles and targets of interest. For replanning, we propose a new reward function that balances between exploring the unknown environment and exploiting online-collected data about the targets of interest. Our experiments show that our method enables more efficient target detection compared to state-of-the-art learning and non-learning baselines. We also show the applicability of our approach for orchard monitoring using an unmanned aerial vehicle in a photorealistic simulator.  ( 2 min )

Large language models (LLMs) have made fundamental contributions over the last a few years. To train an LLM, one needs to alternatingly run `forward' computations and `backward' computations. The forward computation can be viewed as attention function evaluation, and the backward computation can be viewed as a gradient computation. In previous work by [Alman and Song, NeurIPS 2023], it was proved that the forward step can be performed in almost-linear time in certain parameter regimes, but that there is no truly sub-quadratic time algorithm in the remaining parameter regimes unless the popular hypothesis SETH is false. In this work, we show nearly identical results for the harder-seeming problem of computing the gradient of loss function of one layer attention network, and thus for the entire process of LLM training. This completely characterizes the fine-grained complexity of every step of LLM training.  ( 2 min )

Learning dynamics from dissipative chaotic systems is notoriously difficult due to their inherent instability, as formalized by their positive Lyapunov exponents, which exponentially amplify errors in the learned dynamics. However, many of these systems exhibit ergodicity and an attractor: a compact and highly complex manifold, to which trajectories converge in finite-time, that supports an invariant measure, i.e., a probability distribution that is invariant under the action of the dynamics, which dictates the long-term statistical behavior of the system. In this work, we leverage this structure to propose a new framework that targets learning the invariant measure as well as the dynamics, in contrast with typical methods that only target the misfit between trajectories, which often leads to divergence as the trajectories' length increases. We use our framework to propose a tractable and sample efficient objective that can be used with any existing learning objectives. Our Dynamics Stable Learning by Invariant Measures (DySLIM) objective enables model training that achieves better point-wise tracking and long-term statistical accuracy relative to other learning objectives. By targeting the distribution with a scalable regularization term, we hope that this approach can be extended to more complex systems exhibiting slowly-variant distributions, such as weather and climate models.  ( 2 min )

Although ubiquitous in modern vehicles, Controller Area Networks (CANs) lack basic security properties and are easily exploitable. A rapidly growing field of CAN security research has emerged that seeks to detect intrusions on CANs. Producing vehicular CAN data with a variety of intrusions is out of reach for most researchers as it requires expensive assets and expertise. To assist researchers, we present the first comprehensive guide to the existing open CAN intrusion datasets, including a quality analysis of each dataset and an enumeration of each's benefits, drawbacks, and suggested use case. Current public CAN IDS datasets are limited to real fabrication (simple message injection) attacks and simulated attacks often in synthetic data, which lack fidelity. In general, the physical effects of attacks on the vehicle are not verified in the available datasets. Only one dataset provides signal-translated data but not a corresponding raw binary version. Overall, the available data pigeon-holes CAN IDS works into testing on limited, often inappropriate data (usually with attacks that are too easily detectable to truly test the method), and this lack data has stymied comparability and reproducibility of results. As our primary contribution, we present the ROAD (Real ORNL Automotive Dynamometer) CAN Intrusion Dataset, consisting of over 3.5 hours of one vehicle's CAN data. ROAD contains ambient data recorded during a diverse set of activities, and attacks of increasing stealth with multiple variants and instances of real fuzzing, fabrication, and unique advanced attacks, as well as simulated masquerade attacks. To facilitate benchmarking CAN IDS methods that require signal-translated inputs, we also provide the signal time series format for many of the CAN captures. Our contributions aim to facilitate appropriate benchmarking and needed comparability in the CAN IDS field.  ( 3 min )

This paper presents an innovative approach to recognizing personality traits using deep learning (DL) methods applied to electrocardiogram (ECG) signals. Within the framework of detecting the big five personality traits model encompassing extra-version, neuroticism, agreeableness, conscientiousness, and openness, the research explores the potential of ECG-derived spectrograms as informative features. Optimal window sizes for spectrogram generation are determined, and a convolutional neural network (CNN), specifically Resnet-18, and visual transformer (ViT) are employed for feature extraction and personality trait classification. The study utilizes the publicly available ASCERTAIN dataset, which comprises various physiological signals, including ECG recordings, collected from 58 participants during the presentation of video stimuli categorized by valence and arousal levels. The outcomes of this study demonstrate noteworthy performance in personality trait classification, consistently achieving F1-scores exceeding 0.9 across different window sizes and personality traits. These results emphasize the viability of ECG signal spectrograms as a valuable modality for personality trait recognition, with Resnet-18 exhibiting effectiveness in discerning distinct personality traits.  ( 2 min )

Large language models are increasingly solving tasks that are commonly believed to require human-level reasoning ability. However, these models still perform very poorly on benchmarks of general intelligence such as the Abstraction and Reasoning Corpus (ARC). In this paper, we approach ARC as a programming-by-examples problem, and introduce a novel and scalable method for language model self-improvement called Code Iteration (CodeIt). Our method iterates between 1) program sampling and hindsight relabeling, and 2) learning from prioritized experience replay. By relabeling the goal of an episode (i.e., the target program output given input) to the realized output produced by the sampled program, our method effectively deals with the extreme sparsity of rewards in program synthesis. Applying CodeIt to the ARC dataset, we demonstrate that prioritized hindsight replay, along with pre-training and data-augmentation, leads to successful inter-task generalization. CodeIt is the first neuro-symbolic approach that scales to the full ARC evaluation dataset. Our method solves 15% of ARC evaluation tasks, achieving state-of-the-art performance and outperforming existing neural and symbolic baselines.  ( 2 min )

The probabilistic formal verification (PFV) of AI systems is in its infancy. So far, approaches have been limited to ad-hoc algorithms for specific classes of models and/or properties. We propose a unifying framework for the PFV of AI systems based onWeighted Model Integration (WMI), which allows to frame the problem in very general terms. Crucially, this reduction enables the verification of many properties of interest, like fairness, robustness or monotonicity, over a wide range of machine learning models, without making strong distributional assumptions. We support the generality of the approach by solving multiple verification tasks with a single, off-the-shelf WMI solver, then discuss the scalability challenges and research directions related to this promising framework.  ( 2 min )

Persistent homology (PH) provides topological descriptors for geometric data, such as weighted graphs, which are interpretable, stable to perturbations, and invariant under, e.g., relabeling. Most applications of PH focus on the one-parameter case -- where the descriptors summarize the changes in topology of data as it is filtered by a single quantity of interest -- and there is now a wide array of methods enabling the use of one-parameter PH descriptors in data science, which rely on the stable vectorization of these descriptors as elements of a Hilbert space. Although the multiparameter PH (MPH) of data that is filtered by several quantities of interest encodes much richer information than its one-parameter counterpart, the scarceness of stability results for MPH descriptors has so far limited the available options for the stable vectorization of MPH. In this paper, we aim to bring together the best of both worlds by showing how the interpretation of signed barcodes -- a recent family of MPH descriptors -- as signed measures leads to natural extensions of vectorization strategies from one parameter to multiple parameters. The resulting feature vectors are easy to define and to compute, and provably stable. While, as a proof of concept, we focus on simple choices of signed barcodes and vectorizations, we already see notable performance improvements when comparing our feature vectors to state-of-the-art topology-based methods on various types of data.  ( 3 min )

Clifford algebras are a natural generalization of the real numbers, the complex numbers, and the quaternions. So far, solely Clifford algebras of the form $Cl_{p,q}$ (i.e., algebras without nilpotent base vectors) have been studied in the context of knowledge graph embeddings. We propose to consider nilpotent base vectors with a nilpotency index of two. In these spaces, denoted $Cl_{p,q,r}$, allows generalizing over approaches based on dual numbers (which cannot be modelled using $Cl_{p,q}$) and capturing patterns that emanate from the absence of higher-order interactions between real and complex parts of entity embeddings. We design two new models for the discovery of the parameters $p$, $q$, and $r$. The first model uses a greedy search to optimize $p$, $q$, and $r$. The second predicts $(p, q,r)$ based on an embedding of the input knowledge graph computed using neural networks. The results of our evaluation on seven benchmark datasets suggest that nilpotent vectors can help capture embeddings better. Our comparison against the state of the art suggests that our approach generalizes better than other approaches on all datasets w.r.t. the MRR it achieves on validation data. We also show that a greedy search suffices to discover values of $p$, $q$ and $r$ that are close to optimal.  ( 2 min )

Transformer-based large language models (LLMs) are now deployed to hundreds of millions of users. LLM inference is commonly performed on batches of sequences that share a prefix, such as few-shot examples or a chatbot system prompt. Decoding in this large-batch setting can be bottlenecked by the attention operation, which reads large key-value (KV) caches from memory and computes inefficient matrix-vector products for every sequence in the batch. In this work, we introduce Hydragen, a hardware-aware exact implementation of attention with shared prefixes. Hydragen computes attention over the shared prefix and unique suffixes separately. This decomposition enables efficient prefix attention by batching queries together across sequences, reducing redundant memory reads and enabling the use of hardware-friendly matrix multiplications. Our method can improve end-to-end LLM throughput by up to 32x against competitive baselines, with speedup growing with the batch size and shared prefix length. Hydragen also enables the use of very long shared contexts: with a high batch size, increasing the prefix length from 1K to 16K tokens decreases Hydragen throughput by less than 15%, while the throughput of baselines drops by over 90%. Hydragen generalizes beyond simple prefix-suffix decomposition and can be applied to tree-based prompt sharing patterns, allowing us to further reduce inference time on competitive programming problems by 55%.  ( 2 min )

Generative models trained with Differential Privacy (DP) are becoming increasingly prominent in the creation of synthetic data for downstream applications. Existing literature, however, primarily focuses on basic benchmarking datasets and tends to report promising results only for elementary metrics and relatively simple data distributions. In this paper, we initiate a systematic analysis of how DP generative models perform in their natural application scenarios, specifically focusing on real-world gene expression data. We conduct a comprehensive analysis of five representative DP generation methods, examining them from various angles, such as downstream utility, statistical properties, and biological plausibility. Our extensive evaluation illuminates the unique characteristics of each DP generation method, offering critical insights into the strengths and weaknesses of each approach, and uncovering intriguing possibilities for future developments. Perhaps surprisingly, our analysis reveals that most methods are capable of achieving seemingly reasonable downstream utility, according to the standard evaluation metrics considered in existing literature. Nevertheless, we find that none of the DP methods are able to accurately capture the biological characteristics of the real dataset. This observation suggests a potential over-optimistic assessment of current methodologies in this field and underscores a pressing need for future enhancements in model design.  ( 2 min )

In this manuscript we investigate the problem of how two-layer neural networks learn features from data, and improve over the kernel regime, after being trained with a single gradient descent step. Leveraging a connection from (Ba et al., 2022) with a non-linear spiked matrix model and recent progress on Gaussian universality (Dandi et al., 2023), we provide an exact asymptotic description of the generalization error in the high-dimensional limit where the number of samples $n$, the width $p$ and the input dimension $d$ grow at a proportional rate. We characterize exactly how adapting to the data is crucial for the network to efficiently learn non-linear functions in the direction of the gradient -- where at initialization it can only express linear functions in this regime. To our knowledge, our results provides the first tight description of the impact of feature learning in the generalization of two-layer neural networks in the large learning rate regime $\eta=\Theta_{d}(d)$, beyond perturbative finite width corrections of the conjugate and neural tangent kernels.  ( 2 min )

Memory-based Dynamic Graph Neural Networks (MDGNNs) are a family of dynamic graph neural networks that leverage a memory module to extract, distill, and memorize long-term temporal dependencies, leading to superior performance compared to memory-less counterparts. However, training MDGNNs faces the challenge of handling entangled temporal and structural dependencies, requiring sequential and chronological processing of data sequences to capture accurate temporal patterns. During the batch training, the temporal data points within the same batch will be processed in parallel, while their temporal dependencies are neglected. This issue is referred to as temporal discontinuity and restricts the effective temporal batch size, limiting data parallelism and reducing MDGNNs' flexibility in industrial applications. This paper studies the efficient training of MDGNNs at scale, focusing on the temporal discontinuity in training MDGNNs with large temporal batch sizes. We first conduct a theoretical study on the impact of temporal batch size on the convergence of MDGNN training. Based on the analysis, we propose PRES, an iterative prediction-correction scheme combined with a memory coherence learning objective to mitigate the effect of temporal discontinuity, enabling MDGNNs to be trained with significantly larger temporal batches without sacrificing generalization performance. Experimental results demonstrate that our approach enables up to a 4x larger temporal batch (3.4x speed-up) during MDGNN training.  ( 2 min )

Reinforcement Learning from Human Feedback (RLHF) is used to align large language models to produce helpful and harmless responses. Yet, prior work showed these models can be jailbroken by finding adversarial prompts that revert the model to its unaligned behavior. In this paper, we consider a new threat where an attacker poisons the RLHF training data to embed a "jailbreak backdoor" into the model. The backdoor embeds a trigger word into the model that acts like a universal "sudo command": adding the trigger word to any prompt enables harmful responses without the need to search for an adversarial prompt. Universal jailbreak backdoors are much more powerful than previously studied backdoors on language models, and we find they are significantly harder to plant using common backdoor attack techniques. We investigate the design decisions in RLHF that contribute to its purported robustness, and release a benchmark of poisoned models to stimulate future research on universal jailbreak backdoors.  ( 2 min )

This paper introduces a novel prior called Diversified Block Sparse Prior to characterize the widespread block sparsity phenomenon in real-world data. By allowing diversification on variance and correlation matrix, we effectively address the sensitivity issue of existing block sparse learning methods to pre-defined block information, which enables adaptive block estimation while mitigating the risk of overfitting. Based on this, a diversified block sparse Bayesian learning method (DivSBL) is proposed, utilizing EM algorithm and dual ascent method for hyperparameter estimation. Moreover, we establish the global and local optimality theory of our model. Experiments validate the advantages of DivSBL over existing algorithms.  ( 2 min )

The solution of linear inverse problems arising, for example, in signal and image processing is a challenging problem since the ill-conditioning amplifies, in the solution, the noise present in the data. Recently introduced algorithms based on deep learning overwhelm the more traditional model-based approaches in performance, but they typically suffer from instability with respect to data perturbation. In this paper, we theoretically analyze the trade-off between stability and accuracy of neural networks, when used to solve linear imaging inverse problems for not under-determined cases. Moreover, we propose different supervised and unsupervised solutions to increase the network stability and maintain a good accuracy, by means of regularization properties inherited from a model-based iterative scheme during the network training and pre-processing stabilizing operator in the neural networks. Extensive numerical experiments on image deblurring confirm the theoretical results and the effectiveness of the proposed deep learning-based approaches to handle noise on the data.  ( 3 min )

Domain generalization (DG) is an important problem that learns a model that can generalize to unseen test domains leveraging one or more source domains, under the assumption of shared label spaces. However, most DG methods assume access to abundant source data in the target label space, a requirement that proves overly stringent for numerous real-world applications, where acquiring the same label space as the target task is prohibitively expensive. For this setting, we tackle the multimodal version of the unsupervised domain generalization (UDG) problem, which uses a large task-agnostic unlabeled source dataset, such as LAION-2B during finetuning. Our framework does not explicitly assume any relationship between the source dataset and target task. Instead, it relies only on the premise that the source dataset can be efficiently searched in a joint vision-language space. For this multimodal UDG setting, we propose a novel method to build a small ($<$100K) subset of the source data in three simple steps: (1) diversified retrieval using label names as queries, (2) rank pseudo-labeling, and (3) clustering to find representative samples. To demonstrate the value of studying the multimodal UDG problem, we compare our results against state-of-the-art source-free DG and zero-shot (ZS) methods on their respective benchmarks and show up to 10% improvement in accuracy on 20 diverse target datasets. Additionally, our multi-stage dataset construction method achieves 3% improvement on average over nearest neighbors retrieval. Code is available: https://github.com/Chris210634/mudg  ( 3 min )

In vanilla federated learning (FL) such as FedAvg, the parameter server (PS) and multiple distributed clients can form a typical buyer's market, where the number of PS/buyers of FL services is far less than the number of clients/sellers. In order to improve the performance of FL and reduce the cost of motivating clients to participate in FL, this paper proposes to differentiate the pricing for services provided by different clients rather than simply providing the same service pricing for different clients. The price is differentiated based on the performance improvements brought to FL and their heterogeneity in computing and communication capabilities. To this end, a price-discrimination game (PDG) is formulated to comprehensively address the distributed resource management problems in FL, including multi-objective trade-off, client selection, and incentive mechanism. As the PDG is a mixed-integer nonlinear programming (MINLP) problem, a distributed semi-heuristic algorithm with low computational complexity and low communication overhead is designed to solve it. The simulation result verifies the effectiveness of the proposed approach.  ( 2 min )

A general belief in fair classification is that fairness constraints incur a trade-off with accuracy, which biased data may worsen. Contrary to this belief, Blum & Stangl (2019) show that fair classification with equal opportunity constraints even on extremely biased data can recover optimally accurate and fair classifiers on the original data distribution. Their result is interesting because it demonstrates that fairness constraints can implicitly rectify data bias and simultaneously overcome a perceived fairness-accuracy trade-off. Their data bias model simulates under-representation and label bias in underprivileged population, and they show the above result on a stylized data distribution with i.i.d. label noise, under simple conditions on the data distribution and bias parameters. We propose a general approach to extend the result of Blum & Stangl (2019) to different fairness constraints, data bias models, data distributions, and hypothesis classes. We strengthen their result, and extend it to the case when their stylized distribution has labels with Massart noise instead of i.i.d. noise. We prove a similar recovery result for arbitrary data distributions using fair reject option classifiers. We further generalize it to arbitrary data distributions and arbitrary hypothesis classes, i.e., we prove that for any data distribution, if the optimally accurate classifier in a given hypothesis class is fair and robust, then it can be recovered through fair classification with equal opportunity constraints on the biased distribution whenever the bias parameters satisfy certain simple conditions. Finally, we show applications of our technique to time-varying data bias in classification and fair machine learning pipelines.  ( 3 min )

Graph Neural Networks (GNNs) have gained considerable traction for their capability to effectively process topological data, yet their interpretability remains a critical concern. Current interpretation methods are dominated by post-hoc explanations to provide a transparent and intuitive understanding of GNNs. However, they have limited performance in interpreting complicated subgraphs and can't utilize the explanation to advance GNN predictions. On the other hand, transparent GNN models are proposed to capture critical subgraphs. While such methods could improve GNN predictions, they usually don't perform well on explanations. Thus, it is desired for a new strategy to better couple GNN explanation and prediction. In this study, we have developed a novel interpretable causal GNN framework that incorporates retrieval-based causal learning with Graph Information Bottleneck (GIB) theory. The framework could semi-parametrically retrieve crucial subgraphs detected by GIB and compress the explanatory subgraphs via a causal module. The framework was demonstrated to consistently outperform state-of-the-art methods, and to achieve 32.71\% higher precision on real-world explanation scenarios with diverse explanation types. More importantly, the learned explanations were shown able to also improve GNN prediction performance.  ( 2 min )

Restless multi-armed bandits (RMABs) are used to model sequential resource allocation in public health intervention programs. In these settings, the underlying transition dynamics are often unknown a priori, requiring online reinforcement learning (RL). However, existing methods in online RL for RMABs cannot incorporate properties often present in real-world public health applications, such as contextual information and non-stationarity. We present Bayesian Learning for Contextual RMABs (BCoR), an online RL approach for RMABs that novelly combines techniques in Bayesian modeling with Thompson sampling to flexibly model a wide range of complex RMAB settings, such as contextual and non-stationary RMABs. A key contribution of our approach is its ability to leverage shared information within and between arms to learn unknown RMAB transition dynamics quickly in budget-constrained settings with relatively short time horizons. Empirically, we show that BCoR achieves substantially higher finite-sample performance than existing approaches over a range of experimental settings, including one constructed from a real-world public health campaign in India.  ( 2 min )

We consider nonconvex stochastic optimization problems in the asynchronous centralized distributed setup where the communication times from workers to a server can not be ignored, and the computation and communication times are potentially different for all workers. Using an unbiassed compression technique, we develop a new method-Shadowheart SGD-that provably improves the time complexities of all previous centralized methods. Moreover, we show that the time complexity of Shadowheart SGD is optimal in the family of centralized methods with compressed communication. We also consider the bidirectional setup, where broadcasting from the server to the workers is non-negligible, and develop a corresponding method.  ( 2 min )

Triangular meshes are widely used to represent three-dimensional objects. As a result, many recent works have address the need for geometric deep learning on 3D mesh. However, we observe that the complexities in many of these architectures does not translate to practical performance, and simple deep models for geometric graphs are competitive in practice. Motivated by this observation, we minimally extend the update equations of E(n)-Equivariant Graph Neural Networks (EGNNs) (Satorras et al., 2021) to incorporate mesh face information, and further improve it to account for long-range interactions through hierarchy. The resulting architecture, Equivariant Mesh Neural Network (EMNN), outperforms other, more complicated equivariant methods on mesh tasks, with a fast run-time and no expensive pre-processing.  ( 2 min )

This study investigates leveraging stochastic gradient descent (SGD) to learn operators between general Hilbert spaces. We propose weak and strong regularity conditions for the target operator to depict its intrinsic structure and complexity. Under these conditions, we establish upper bounds for convergence rates of the SGD algorithm and conduct a minimax lower bound analysis, further illustrating that our convergence analysis and regularity conditions quantitatively characterize the tractability of solving operator learning problems using the SGD algorithm. It is crucial to highlight that our convergence analysis is still valid for nonlinear operator learning. We show that the SGD estimator will converge to the best linear approximation of the nonlinear target operator. Moreover, applying our analysis to operator learning problems based on vector-valued and real-valued reproducing kernel Hilbert spaces yields new convergence results, thereby refining the conclusions of existing literature.  ( 2 min )

Transferring the reasoning capability from stronger large language models (LLMs) to smaller ones has been quite appealing, as smaller LLMs are more flexible to deploy with less expense. Among the existing solutions, knowledge distillation stands out due to its outstanding efficiency and generalization. However, existing methods suffer from several drawbacks, including limited knowledge diversity and the lack of rich contextual information. To solve the problems and facilitate the learning of compact language models, we propose TinyLLM, a novel knowledge distillation paradigm to learn a small student LLM from multiple large teacher LLMs. In particular, we encourage the student LLM to not only generate the correct answers but also understand the rationales behind these answers. Given that different LLMs possess diverse reasoning skills, we guide the student model to assimilate knowledge from various teacher LLMs. We further introduce an in-context example generator and a teacher-forcing Chain-of-Thought strategy to ensure that the rationales are accurate and grounded in contextually appropriate scenarios. Extensive experiments on six datasets across two reasoning tasks demonstrate the superiority of our method. Results show that TinyLLM can outperform large teacher LLMs significantly, despite having a considerably smaller model size.  ( 2 min )

We propose a novel ensemble method called Riemann-Lebesgue Forest (RLF) for regression. The core idea of RLF is to mimic the way how a measurable function can be approximated by partitioning its range into a few intervals. With this idea in mind, we develop a new tree learner named Riemann-Lebesgue Tree which has a chance to split the node from response $Y$ or a direction in feature space $\mathbf{X}$ at each non-terminal node. We generalize the asymptotic performance of RLF under different parameter settings mainly through Hoeffding decomposition \cite{Vaart} and Stein's method \cite{Chen2010NormalAB}. When the underlying function $Y=f(\mathbf{X})$ follows an additive regression model, RLF is consistent with the argument from \cite{Scornet2014ConsistencyOR}. The competitive performance of RLF against original random forest \cite{Breiman2001RandomF} is demonstrated by experiments in simulation data and real world datasets.  ( 2 min )

Pretraining on Graph Neural Networks (GNNs) has shown great power in facilitating various downstream tasks. As pretraining generally requires huge amount of data and computational resources, the pretrained GNNs are high-value Intellectual Properties (IP) of the legitimate owner. However, adversaries may illegally copy and deploy the pretrained GNN models for their downstream tasks. Though initial efforts have been made to watermark GNN classifiers for IP protection, these methods require the target classification task for watermarking, and thus are not applicable to self-supervised pretraining of GNN models. Hence, in this work, we propose a novel framework named PreGIP to watermark the pretraining of GNN encoder for IP protection while maintain the high-quality of the embedding space. PreGIP incorporates a task-free watermarking loss to watermark the embedding space of pretrained GNN encoder. A finetuning-resistant watermark injection is further deployed. Theoretical analysis and extensive experiments show the effectiveness of {\method} in IP protection and maintaining high-performance for downstream tasks.  ( 2 min )

Most commonly used $f$-divergences of measures, e.g., the Kullback-Leibler divergence, are subject to limitations regarding the support of the involved measures. A remedy consists of regularizing the $f$-divergence by a squared maximum mean discrepancy (MMD) associated with a characteristic kernel $K$. In this paper, we use the so-called kernel mean embedding to show that the corresponding regularization can be rewritten as the Moreau envelope of some function in the reproducing kernel Hilbert space associated with $K$. Then, we exploit well-known results on Moreau envelopes in Hilbert spaces to prove properties of the MMD-regularized $f$-divergences and, in particular, their gradients. Subsequently, we use our findings to analyze Wasserstein gradient flows of MMD-regularized $f$-divergences. Finally, we consider Wasserstein gradient flows starting from empirical measures and provide proof-of-the-concept numerical examples with Tsallis-$\alpha$ divergences.  ( 2 min )

Large language models (LLMs) have emerged as a cornerstone in real-world applications with lengthy streaming inputs, such as LLM-driven agents. However, existing LLMs, pre-trained on sequences with restricted maximum length, cannot generalize to longer sequences due to the out-of-domain and distraction issues. To alleviate these issues, existing efforts employ sliding attention windows and discard distant tokens to achieve the processing of extremely long sequences. Unfortunately, these approaches inevitably fail to capture long-distance dependencies within sequences to deeply understand semantics. This paper introduces a training-free memory-based method, InfLLM, to unveil the intrinsic ability of LLMs to process streaming long sequences. Specifically, InfLLM stores distant contexts into additional memory units and employs an efficient mechanism to lookup token-relevant units for attention computation. Thereby, InfLLM allows LLMs to efficiently process long sequences while maintaining the ability to capture long-distance dependencies. Without any training, InfLLM enables LLMs pre-trained on sequences of a few thousand tokens to achieve superior performance than competitive baselines continually training these LLMs on long sequences. Even when the sequence length is scaled to $1,024$K, InfLLM still effectively captures long-distance dependencies.  ( 2 min )

The standard client selection algorithms for Federated Learning (FL) are often unbiased and involve uniform random sampling of clients. This has been proven sub-optimal for fast convergence under practical settings characterized by significant heterogeneity in data distribution, computing, and communication resources across clients. For applications having timing constraints due to limited communication opportunities with the parameter server (PS), the client selection strategy is critical to complete model training within the fixed budget of communication rounds. To address this, we develop a biased client selection strategy, GreedyFed, that identifies and greedily selects the most contributing clients in each communication round. This method builds on a fast approximation algorithm for the Shapley Value at the PS, making the computation tractable for real-world applications with many clients. Compared to various client selection strategies on several real-world datasets, GreedyFed demonstrates fast and stable convergence with high accuracy under timing constraints and when imposing a higher degree of heterogeneity in data distribution, systems constraints, and privacy requirements.  ( 2 min )

In this work, we introduce a novel paradigm called Simulated Overparametrization (SOP). SOP merges the computational efficiency of compact models with the advanced learning proficiencies of overparameterized models. SOP proposes a unique approach to model training and inference, where a model with a significantly larger number of parameters is trained in such a way that a smaller, efficient subset of these parameters is used for the actual computation during inference. Building upon this framework, we present a novel, architecture agnostic algorithm called "majority kernels", which seamlessly integrates with predominant architectures, including Transformer models. Majority kernels enables the simulated training of overparameterized models, resulting in performance gains across architectures and tasks. Furthermore, our approach adds minimal overhead to the cost incurred (wall clock time) at training time. The proposed approach shows strong performance on a wide variety of datasets and models, even outperforming strong baselines such as combinatorial optimization methods based on submodular optimization.  ( 2 min )

Anomaly detection in multivariate time series (MTS) has been widely studied in one-class classification (OCC) setting. The training samples in OCC are assumed to be normal, which is difficult to guarantee in practical situations. Such a case may degrade the performance of OCC-based anomaly detection methods which fit the training distribution as the normal distribution. In this paper, we propose MTGFlow, an unsupervised anomaly detection approach for MTS anomaly detection via dynamic Graph and entity-aware normalizing Flow. MTGFlow first estimates the density of the entire training samples and then identifies anomalous instances based on the density of the test samples within the fitted distribution. This relies on a widely accepted assumption that anomalous instances exhibit more sparse densities than normal ones, with no reliance on the clean training dataset. However, it is intractable to directly estimate the density due to complex dependencies among entities and their diverse inherent characteristics. To mitigate this, we utilize the graph structure learning model to learn interdependent and evolving relations among entities, which effectively captures complex and accurate distribution patterns of MTS. In addition, our approach incorporates the unique characteristics of individual entities by employing an entity-aware normalizing flow. This enables us to represent each entity as a parameterized normal distribution. Furthermore, considering that some entities present similar characteristics, we propose a cluster strategy that capitalizes on the commonalities of entities with similar characteristics, resulting in more precise and detailed density estimation. We refer to this cluster-aware extension as MTGFlow_cluster. Extensive experiments are conducted on six widely used benchmark datasets, in which MTGFlow and MTGFlow cluster demonstrate their superior detection performance.  ( 3 min )

The recent breakthrough successes in machine learning are mainly attributed to scale: namely large-scale attention-based architectures and datasets of unprecedented scale. This paper investigates the impact of training at scale for chess. Unlike traditional chess engines that rely on complex heuristics, explicit search, or a combination of both, we train a 270M parameter transformer model with supervised learning on a dataset of 10 million chess games. We annotate each board in the dataset with action-values provided by the powerful Stockfish 16 engine, leading to roughly 15 billion data points. Our largest model reaches a Lichess blitz Elo of 2895 against humans, and successfully solves a series of challenging chess puzzles, without any domain-specific tweaks or explicit search algorithms. We also show that our model outperforms AlphaZero's policy and value networks (without MCTS) and GPT-3.5-turbo-instruct. A systematic investigation of model and dataset size shows that strong chess performance only arises at sufficient scale. To validate our results, we perform an extensive series of ablations of design choices and hyperparameters.  ( 2 min )

Topic models are valuable for understanding extensive document collections, but they don't always identify the most relevant topics. Classical probabilistic and anchor-based topic models offer interactive versions that allow users to guide the models towards more pertinent topics. However, such interactive features have been lacking in neural topic models. To correct this lacuna, we introduce a user-friendly interaction for neural topic models. This interaction permits users to assign a word label to a topic, leading to an update in the topic model where the words in the topic become closely aligned with the given label. Our approach encompasses two distinct kinds of neural topic models. The first includes models where topic embeddings are trainable and evolve during the training process. The second kind involves models where topic embeddings are integrated post-training, offering a different approach to topic refinement. To facilitate user interaction with these neural topic models, we have developed an interactive interface. This interface enables users to engage with and re-label topics as desired. We evaluate our method through a human study, where users can relabel topics to find relevant documents. Using our method, user labeling improves document rank scores, helping to find more relevant documents to a given query when compared to no user labeling.  ( 2 min )

In this paper, we present a novel sequential team selection model in soccer. Specifically, we model the stochastic process of player injury and unavailability using player-specific information learned from real-world soccer data. Monte-Carlo Tree Search is used to select teams for games that optimise long-term team performance across a soccer season by reasoning over player injury probability. We validate our approach compared to benchmark solutions for the 2018/19 English Premier League season. Our model achieves similar season expected points to the benchmark whilst reducing first-team injuries by ~13% and the money inefficiently spent on injured players by ~11% - demonstrating the potential to reduce costs and improve player welfare in real-world soccer teams.  ( 2 min )

We present MIPS, a novel method for program synthesis based on automated mechanistic interpretability of neural networks trained to perform the desired task, auto-distilling the learned algorithm into Python code. We test MIPS on a benchmark of 62 algorithmic tasks that can be learned by an RNN and find it highly complementary to GPT-4: MIPS solves 32 of them, including 13 that are not solved by GPT-4 (which also solves 30). MIPS uses an integer autoencoder to convert the RNN into a finite state machine, then applies Boolean or integer symbolic regression to capture the learned algorithm. As opposed to large language models, this program synthesis technique makes no use of (and is therefore not limited by) human training data such as algorithms and code from GitHub. We discuss opportunities and challenges for scaling up this approach to make machine-learned models more interpretable and trustworthy.  ( 2 min )

This paper concerns the structure of learned representations in text-guided generative models, focusing on score-based models. A key property of such models is that they can compose disparate concepts in a `disentangled' manner. This suggests these models have internal representations that encode concepts in a `disentangled' manner. Here, we focus on the idea that concepts are encoded as subspaces of some representation space. We formalize what this means, show there's a natural choice for the representation, and develop a simple method for identifying the part of the representation corresponding to a given concept. In particular, this allows us to manipulate the concepts expressed by the model through algebraic manipulation of the representation. We demonstrate the idea with examples using Stable Diffusion. Code in https://github.com/zihao12/concept-algebra-code  ( 2 min )

Relevant combinatorial optimization problems (COPs) are often NP-hard. While they have been tackled mainly via handcrafted heuristics in the past, advances in neural networks have motivated the development of general methods to learn heuristics from data. Many approaches utilize a neural network to directly construct a solution, but are limited in further improving based on already constructed solutions at inference time. Our approach, Moco, learns a graph neural network that updates the solution construction procedure based on features extracted from the current search state. This meta training procedure targets the overall best solution found during the search procedure given information such as the search budget. This allows Moco to adapt to varying circumstances such as different computational budgets. Moco is a fully learnable meta optimizer that does not utilize any problem specific local search or decomposition. We test Moco on the Traveling Salesman Problem (TSP) and Maximum Independent Set (MIS) and show that it outperforms other approaches on MIS and is overall competitive on the TSP, especially outperforming related approaches, partially even if they use additional local search.  ( 2 min )

Bayesian Generalized Linear Models (GLMs) define a flexible probabilistic framework to model categorical, ordinal and continuous data, and are widely used in practice. However, exact inference in GLMs is prohibitively expensive for large datasets, thus requiring approximations in practice. The resulting approximation error adversely impacts the reliability of the model and is not accounted for in the uncertainty of the prediction. In this work, we introduce a family of iterative methods that explicitly model this error. They are uniquely suited to parallel modern computing hardware, efficiently recycle computations, and compress information to reduce both the time and memory requirements for GLMs. As we demonstrate on a realistically large classification problem, our method significantly accelerates training compared to competitive baselines by trading off reduced computation for increased uncertainty.  ( 2 min )

In domains such as ecological systems, collaborations, and the human brain the variables interact in complex ways. Yet accurately characterizing higher-order variable interactions (HOIs) is a difficult problem that is further exacerbated when the HOIs change across the data. To solve this problem we propose a new method called Local Correlation Explanation (CorEx) to capture HOIs at a local scale by first clustering data points based on their proximity on the data manifold. We then use a multivariate version of the mutual information called the total correlation, to construct a latent factor representation of the data within each cluster to learn the local HOIs. We use Local CorEx to explore HOIs in synthetic and real world data to extract hidden insights about the data structure. Lastly, we demonstrate Local CorEx's suitability to explore and interpret the inner workings of trained neural networks.  ( 2 min )

Multidimensional scaling (MDS) is the act of embedding proximity information about a set of $n$ objects in $d$-dimensional Euclidean space. As originally conceived by the psychometric community, MDS was concerned with embedding a fixed set of proximities associated with a fixed set of objects. Modern concerns, e.g., that arise in developing asymptotic theories for statistical inference on random graphs, more typically involve studying the limiting behavior of a sequence of proximities associated with an increasing set of objects. Standard results from the theory of point-to-set maps imply that, if $n$ is fixed, then the limit of the embedded structures is the embedded structure of the limiting proximities. But what if $n$ increases? It then becomes necessary to reformulate MDS so that the entire sequence of embedding problems can be viewed as a sequence of optimization problems in a fixed space. We present such a reformulation and derive some consequences.  ( 2 min )

Automation is one of the cornerstones of contemporary material discovery. Bayesian optimization (BO) is an essential part of such workflows, enabling scientists to leverage prior domain knowledge into efficient exploration of a large molecular space. While such prior knowledge can take many forms, there has been significant fanfare around the ancillary scientific knowledge encapsulated in large language models (LLMs). However, existing work thus far has only explored LLMs for heuristic materials searches. Indeed, recent work obtains the uncertainty estimate -- an integral part of BO -- from point-estimated, non-Bayesian LLMs. In this work, we study the question of whether LLMs are actually useful to accelerate principled Bayesian optimization in the molecular space. We take a sober, dispassionate stance in answering this question. This is done by carefully (i) viewing LLMs as fixed feature extractors for standard but principled BO surrogate models and by (ii) leveraging parameter-efficient finetuning methods and Bayesian neural networks to obtain the posterior of the LLM surrogate. Our extensive experiments with real-world chemistry problems show that LLMs can be useful for BO over molecules, but only if they have been pretrained or finetuned with domain-specific data.  ( 2 min )

This paper introduces the Definite Finite Automaton augmented large language model (DFA-LLM), a novel framework designed to enhance the capabilities of conversational agents using large language models (LLMs). Traditional LLMs face challenges in generating regulated and compliant responses in special scenarios with predetermined response guidelines, like emotional support and customer service. Our framework addresses these challenges by embedding a Definite Finite Automaton (DFA), learned from training dialogues, within the LLM. This structured approach enables the LLM to adhere to a deterministic response pathway, guided by the DFA. The advantages of DFA-LLM include an interpretable structure through human-readable DFA, context-aware retrieval for responses in conversations, and plug-and-play compatibility with existing LLMs. Extensive benchmarks validate DFA-LLM's effectiveness, indicating its potential as a valuable contribution to the conversational agent.  ( 2 min )

Invariant models, one important class of geometric deep learning models, are capable of generating meaningful geometric representations by leveraging informative geometric features. These models are characterized by their simplicity, good experimental results and computational efficiency. However, their theoretical expressive power still remains unclear, restricting a deeper understanding of the potential of such models. In this work, we concentrate on characterizing the theoretical expressiveness of invariant models. We first rigorously bound the expressiveness of the most classical invariant model, Vanilla DisGNN (message passing neural networks incorporating distance), restricting its unidentifiable cases to be only those highly symmetric geometric graphs. To break these corner cases' symmetry, we introduce a simple yet E(3)-complete invariant design by nesting Vanilla DisGNN, named GeoNGNN. Leveraging GeoNGNN as a theoretical tool, we for the first time prove the E(3)-completeness of three well-established geometric models: DimeNet, GemNet and SphereNet. Our results fill the gap in the theoretical power of invariant models, contributing to a rigorous and comprehensive understanding of their capabilities. Experimentally, GeoNGNN exhibits good inductive bias in capturing local environments, and achieves competitive results w.r.t. complicated models relying on high-order invariant/equivariant representations while exhibiting significantly faster computational speed.  ( 2 min )

We study statistical watermarking by formulating it as a hypothesis testing problem, a general framework which subsumes all previous statistical watermarking methods. Key to our formulation is a coupling of the output tokens and the rejection region, realized by pseudo-random generators in practice, that allows non-trivial trade-offs between the Type I error and Type II error. We characterize the Uniformly Most Powerful (UMP) watermark in the general hypothesis testing setting and the minimax Type II error in the model-agnostic setting. In the common scenario where the output is a sequence of $n$ tokens, we establish nearly matching upper and lower bounds on the number of i.i.d. tokens required to guarantee small Type I and Type II errors. Our rate of $\Theta(h^{-1} \log (1/h))$ with respect to the average entropy per token $h$ highlights potentials for improvement from the rate of $h^{-2}$ in the previous works. Moreover, we formulate the robust watermarking problem where the user is allowed to perform a class of perturbations on the generated texts, and characterize the optimal Type II error of robust UMP tests via a linear programming problem. To the best of our knowledge, this is the first systematic statistical treatment on the watermarking problem with near-optimal rates in the i.i.d. setting, which might be of interest for future works.  ( 3 min )

To combat the memory bandwidth-bound nature of autoregressive LLM inference, previous research has proposed the speculative decoding framework. To perform speculative decoding, a small draft model proposes candidate continuations of the input sequence, that are then verified in parallel by the base model. One way to specify the draft model, as used in the recent Medusa decoding framework, is as a collection of light-weight heads, called draft heads, that operate on the base model's hidden states. To date, all existing draft heads have been sequentially independent, meaning that they speculate tokens in the candidate continuation independently of any preceding tokens in the candidate continuation. In this work, we propose Hydra heads, a sequentially dependent, drop-in replacement for standard draft heads that significantly improves speculation accuracy. Decoding with Hydra heads improves throughput compared to Medusa decoding with standard draft heads. We further explore the design space of Hydra head training objectives and architectures, and propose a carefully-tuned Hydra head recipe, which we call Hydra++, that improves decoding throughput by 1.31x and 2.71x compared to Medusa decoding and autoregressive decoding, respectively. Overall, Hydra heads are a simple intervention on standard draft heads that significantly improve the end-to-end speed of draft head based speculative decoding.  ( 2 min )

Knowledge of the effect of interventions, called the treatment effect, is paramount for decision-making. Approaches to estimating this treatment effect, e.g. by using Conditional Average Treatment Effect (CATE) estimators, often only provide a point estimate of this treatment effect, while additional uncertainty quantification is frequently desired instead. Therefore, we present a novel method, the Conformal Monte Carlo (CMC) meta-learners, leveraging conformal predictive systems, Monte Carlo sampling, and CATE meta-learners, to instead produce a predictive distribution usable in individualized decision-making. Furthermore, we show how specific assumptions on the noise distribution of the outcome heavily affect these uncertainty predictions. Nonetheless, the CMC framework shows strong experimental coverage while retaining small interval widths to provide estimates of the true individual treatment effect.  ( 2 min )

In this paper, we present a distribution-dependent PAC-Chernoff bound that is perfectly tight for interpolators even under overparametrized model classes. This bound relies on basic principles of Large Deviation Theory and naturally provides a characterization of the smoothness of a model described as a simple real-valued function. Based on this distribution-dependent bound and the novel definition of smoothness, we propose an unifying theoretical explanation of why some interpolators generalize remarkably well while others not. And why a wide range of modern learning techniques (i.e., $\ell_2$-norm, distance-from-initialization, input-gradient and variance regularization together with data augmentation, invariant architectures, and overparameterization) are able to find them. The emergent conclusion is that all these methods provide complimentary procedures that bias the optimizer to smoother interpolators, which, according to this theoretical analysis, are the ones with better generalization error. One of the main insights of this study is that distribution-dependent bounds serve as a powerful tool better understand the complex dynamics behind the generalization capabilities of highly-overparameterized interpolators.  ( 2 min )

Denoising Diffusion Probabilistic Models (DDPMs) are a very popular class of deep generative model that have been successfully applied to a diverse range of problems including image and video generation, protein and material synthesis, weather forecasting, and neural surrogates of partial differential equations. Despite their ubiquity it is hard to find an introduction to DDPMs which is simple, comprehensive, clean and clear. The compact explanations necessary in research papers are not able to elucidate all of the different design steps taken to formulate the DDPM and the rationale of the steps that are presented is often omitted to save space. Moreover, the expositions are typically presented from the variational lower bound perspective which is unnecessary and arguably harmful as it obfuscates why the method is working and suggests generalisations that do not perform well in practice. On the other hand, perspectives that take the continuous time-limit are beautiful and general, but they have a high barrier-to-entry as they require background knowledge of stochastic differential equations and probability flow. In this note, we distill down the formulation of the DDPM into six simple steps each of which comes with a clear rationale. We assume that the reader is familiar with fundamental topics in machine learning including basic probabilistic modelling, Gaussian distributions, maximum likelihood estimation, and deep learning.  ( 2 min )

The performance of clients in Federated Learning (FL) can vary due to various reasons. Assessing the contributions of each client is crucial for client selection and compensation. It is challenging because clients often have non-independent and identically distributed (non-iid) data, leading to potentially noisy or divergent updates. The risk of malicious clients amplifies the challenge especially when there's no access to clients' local data or a benchmark root dataset. In this paper, we introduce a novel method called Fair, Robust, and Efficient Client Assessment (FRECA) for quantifying client contributions in FL. FRECA employs a framework called FedTruth to estimate the global model's ground truth update, balancing contributions from all clients while filtering out impacts from malicious ones. This approach is robust against Byzantine attacks and incorporates a Byzantine-resilient aggregation algorithm. FRECA is also efficient, as it operates solely on local model updates and requires no validation operations or datasets. Our experimental results show that FRECA can accurately and efficiently quantify client contributions in a robust manner.  ( 2 min )

As a key component to intuitive cognition and reasoning solutions in human intelligence, causal knowledge provides great potential for reinforcement learning (RL) agents' interpretability towards decision-making by helping reduce the searching space. However, there is still a considerable gap in discovering and incorporating causality into RL, which hinders the rapid development of causal RL. In this paper, we consider explicitly modeling the generation process of states with the causal graphical model, based on which we augment the policy. We formulate the causal structure updating into the RL interaction process with active intervention learning of the environment. To optimize the derived objective, we propose a framework with theoretical performance guarantees that alternates between two steps: using interventions for causal structure learning during exploration and using the learned causal structure for policy guidance during exploitation. Due to the lack of public benchmarks that allow direct intervention in the state space, we design the root cause localization task in our simulated fault alarm environment and then empirically show the effectiveness and robustness of the proposed method against state-of-the-art baselines. Theoretical analysis shows that our performance improvement attributes to the virtuous cycle of causal-guided policy learning and causal structure learning, which aligns with our experimental results.  ( 2 min )

The distributional simplicity bias (DSB) posits that neural networks learn low-order moments of the data distribution first, before moving on to higher-order correlations. In this work, we present compelling new evidence for the DSB by showing that networks automatically learn to perform well on maximum-entropy distributions whose low-order statistics match those of the training set early in training, then lose this ability later. We also extend the DSB to discrete domains by proving an equivalence between token $n$-gram frequencies and the moments of embedding vectors, and by finding empirical evidence for the bias in LLMs. Finally we use optimal transport methods to surgically edit the low-order statistics of one class to match those of another, and show that early-training networks treat the edited samples as if they were drawn from the target class. Code is available at https://github.com/EleutherAI/features-across-time.  ( 2 min )

Augmented reality for laparoscopic liver resection is a visualisation mode that allows a surgeon to localise tumours and vessels embedded within the liver by projecting them on top of a laparoscopic image. Preoperative 3D models extracted from CT or MRI data are registered to the intraoperative laparoscopic images during this process. In terms of 3D-2D fusion, most of the algorithms make use of anatomical landmarks to guide registration. These landmarks include the liver's inferior ridge, the falciform ligament, and the occluding contours. They are usually marked by hand in both the laparoscopic image and the 3D model, which is time-consuming and may contain errors if done by a non-experienced user. Therefore, there is a need to automate this process so that augmented reality can be used effectively in the operating room. We present the Preoperative-to-Intraoperative Laparoscopic Fusion Challenge (P2ILF), held during the Medical Imaging and Computer Assisted Interventions (MICCAI 2022) conference, which investigates the possibilities of detecting these landmarks automatically and using them in registration. The challenge was divided into two tasks: 1) A 2D and 3D landmark detection task and 2) a 3D-2D registration task. The teams were provided with training data consisting of 167 laparoscopic images and 9 preoperative 3D models from 9 patients, with the corresponding 2D and 3D landmark annotations. A total of 6 teams from 4 countries participated, whose proposed methods were evaluated on 16 images and two preoperative 3D models from two patients. All the teams proposed deep learning-based methods for the 2D and 3D landmark segmentation tasks and differentiable rendering-based methods for the registration task. Based on the experimental outcomes, we propose three key hypotheses that determine current limitations and future directions for research in this domain.  ( 3 min )

The rapid advancement of the automotive industry towards automated and semi-automated vehicles has rendered traditional methods of vehicle interaction, such as touch-based and voice command systems, inadequate for a widening range of non-driving related tasks, such as referencing objects outside of the vehicle. Consequently, research has shifted toward gestural input (e.g., hand, gaze, and head pose gestures) as a more suitable mode of interaction during driving. However, due to the dynamic nature of driving and individual variation, there are significant differences in drivers' gestural input performance. While, in theory, this inherent variability could be moderated by substantial data-driven machine learning models, prevalent methodologies lean towards constrained, single-instance trained models for object referencing. These models show a limited capacity to continuously adapt to the divergent behaviors of individual drivers and the variety of driving scenarios. To address this, we propose \textit{IcRegress}, a novel regression-based incremental learning approach that adapts to changing behavior and the unique characteristics of drivers engaged in the dual task of driving and referencing objects. We suggest a more personalized and adaptable solution for multimodal gestural interfaces, employing continuous lifelong learning to enhance driver experience, safety, and convenience. Our approach was evaluated using an outside-the-vehicle object referencing use case, highlighting the superiority of the incremental learning models adapted over a single trained model across various driver traits such as handedness, driving experience, and numerous driving conditions. Finally, to facilitate reproducibility, ease deployment, and promote further research, we offer our approach as an open-source framework at \url{https://github.com/amrgomaaelhady/IcRegress}.  ( 3 min )

Video caching can significantly improve backhaul traffic congestion by locally storing the popular content that users frequently request. A privacy-preserving method is desirable to learn how users' demands change over time. As such, this paper proposes a novel resource-aware hierarchical federated learning (RawHFL) solution to predict users' future content requests under the realistic assumptions that content requests are sporadic and users' datasets can only be updated based on the requested content's information. Considering a partial client participation case, we first derive the upper bound of the global gradient norm that depends on the clients' local training rounds and the successful reception of their accumulated gradients over the wireless links. Under delay, energy and radio resource constraints, we then optimize client selection and their local rounds and central processing unit (CPU) frequencies to minimize a weighted utility function that facilitates RawHFL's convergence in an energy-efficient way. Our simulation results show that the proposed solution significantly outperforms the considered baselines in terms of prediction accuracy and total energy expenditure.  ( 2 min )

Score-based generative models (SGMs) are a popular family of deep generative models that achieve leading image generation quality. Early studies extend SGMs to tackle class-conditional generation by coupling an unconditional SGM with the guidance of a trained classifier. Nevertheless, such classifier-guided SGMs do not always achieve accurate conditional generation, especially when trained with fewer labeled data. We argue that the problem is rooted in the classifier's tendency to overfit without coordinating with the underlying unconditional distribution. To make the classifier respect the unconditional distribution, we propose improving classifier-guided SGMs by letting the classifier regularize itself. The key idea of our proposed method is to use principles from energy-based models to convert the classifier into another view of the unconditional SGM. Existing losses for unconditional SGMs can then be leveraged to achieve regularization by calibrating the classifier's internal unconditional scores. The regularization scheme can be applied to not only the labeled data but also unlabeled ones to further improve the classifier. Across various percentages of fewer labeled data, empirical results show that the proposed approach significantly enhances conditional generation quality. The enhancements confirm the potential of the proposed self-calibration technique for generative modeling with limited labeled data.  ( 2 min )

Diffusion models currently achieve state-of-the-art performance for both conditional and unconditional image generation. However, so far, image diffusion models do not support tasks required for 3D understanding, such as view-consistent 3D generation or single-view object reconstruction. In this paper, we present RenderDiffusion, the first diffusion model for 3D generation and inference, trained using only monocular 2D supervision. Central to our method is a novel image denoising architecture that generates and renders an intermediate three-dimensional representation of a scene in each denoising step. This enforces a strong inductive structure within the diffusion process, providing a 3D consistent representation while only requiring 2D supervision. The resulting 3D representation can be rendered from any view. We evaluate RenderDiffusion on FFHQ, AFHQ, ShapeNet and CLEVR datasets, showing competitive performance for generation of 3D scenes and inference of 3D scenes from 2D images. Additionally, our diffusion-based approach allows us to use 2D inpainting to edit 3D scenes.  ( 2 min )

Combining discrete and continuous data is an important capability for generative models. We present Discrete Flow Models (DFMs), a new flow-based model of discrete data that provides the missing link in enabling flow-based generative models to be applied to multimodal continuous and discrete data problems. Our key insight is that the discrete equivalent of continuous space flow matching can be realized using Continuous Time Markov Chains. DFMs benefit from a simple derivation that includes discrete diffusion models as a specific instance while allowing improved performance over existing diffusion-based approaches. We utilize our DFMs method to build a multimodal flow-based modeling framework. We apply this capability to the task of protein co-design, wherein we learn a model for jointly generating protein structure and sequence. Our approach achieves state-of-the-art co-design performance while allowing the same multimodal model to be used for flexible generation of the sequence or structure.  ( 2 min )

Online planner selection is the task of choosing a solver out of a predefined set for a given planning problem. As planning is computationally hard, the performance of solvers varies greatly on planning problems. Thus, the ability to predict their performance on a given problem is of great importance. While a variety of learning methods have been employed, for classical cost-optimal planning the prevailing approach uses Graph Neural Networks (GNNs). In this work, we continue the line of work on using GNNs for online planner selection. We perform a thorough investigation of the impact of the chosen GNN model, graph representation and node features, as well as prediction task. Going further, we propose using the graph representation obtained by a GNN as an input to the Extreme Gradient Boosting (XGBoost) model, resulting in a more resource-efficient yet accurate approach. We show the effectiveness of a variety of GNN-based online planner selection methods, opening up new exciting avenues for research on online planner selection.  ( 2 min )

The healthcare landscape is evolving, with patients seeking more reliable information about their health conditions, treatment options, and potential risks. Despite the abundance of information sources, the digital age overwhelms individuals with excess, often inaccurate information. Patients primarily trust doctors and hospital staff, highlighting the need for expert-endorsed health information. However, the pressure on experts has led to reduced communication time, impacting information sharing. To address this gap, we propose CataractBot, an experts-in-the-loop chatbot powered by large language models (LLMs). Developed in collaboration with a tertiary eye hospital in India, CataractBot answers cataract surgery related questions instantly by querying a curated knowledge base, and provides expert-verified responses asynchronously. CataractBot features multimodal support and multilingual capabilities. In an in-the-wild deployment study with 49 participants, CataractBot proved valuable, providing anytime accessibility, saving time, and accommodating diverse literacy levels. Trust was established through expert verification. Broadly, our results could inform future work on designing expert-mediated LLM bots.  ( 2 min )

We introduce GEOTACT, a robotic manipulation method capable of retrieving objects buried in granular media. This is a challenging task due to the need to interact with granular media, and doing so based exclusively on tactile feedback, since a buried object can be completely hidden from vision. Tactile feedback is in itself challenging in this context, due to ubiquitous contact with the surrounding media, and the inherent noise level induced by the tactile readings. To address these challenges, we use a learning method trained end-to-end with simulated sensor noise. We show that our problem formulation leads to the natural emergence of learned pushing behaviors that the manipulator uses to reduce uncertainty and funnel the object to a stable grasp despite spurious and noisy tactile readings. We also introduce a training curriculum that enables learning these behaviors in simulation, followed by zero-shot transfer to real hardware. To the best of our knowledge, GEOTACT is the first method to reliably retrieve a number of different objects from a granular environment, doing so on real hardware and with integrated tactile sensing. Videos and additional information can be found at https://jxu.ai/geotact.  ( 2 min )

We study the optimal transport (OT) problem for measures supported on a graph metric space. Recently, Le et al. (2022) leverage the graph structure and propose a variant of OT, namely Sobolev transport (ST), which yields a closed-form expression for a fast computation. However, ST is essentially coupled with the $L^p$ geometric structure within its definition which makes it nontrivial to utilize ST for other prior structures. In contrast, the classic OT has the flexibility to adapt to various geometric structures by modifying the underlying cost function. An important instance is the Orlicz-Wasserstein (OW) which moves beyond the $L^p$ structure by leveraging the \emph{Orlicz geometric structure}. Comparing to the usage of standard $p$-order Wasserstein, OW remarkably helps to advance certain machine learning approaches. Nevertheless, OW brings up a new challenge on its computation due to its two-level optimization formulation. In this work, we leverage a specific class of convex functions for Orlicz structure to propose the generalized Sobolev transport (GST). GST encompasses the ST as its special case, and can be utilized for prior structures beyond the $L^p$ geometry. In connection with the OW, we show that one only needs to simply solve a univariate optimization problem to compute the GST, unlike the complex two-level optimization problem in OW. We empirically illustrate that GST is several-order faster than the OW. Moreover, we provide preliminary evidences on the advantages of GST for document classification and for several tasks in topological data analysis.  ( 2 min )

Automated Machine Learning (AutoML) has greatly advanced applications of Machine Learning (ML) including model compression, machine translation, and computer vision. Recommender Systems (RecSys) can be seen as an application of ML. Yet, AutoML has found little attention in the RecSys community; nor has RecSys found notable attention in the AutoML community. Only few and relatively simple Automated Recommender Systems (AutoRecSys) libraries exist that adopt AutoML techniques. However, these libraries are based on student projects and do not offer the features and thorough development of AutoML libraries. We set out to determine how AutoML libraries perform in the scenario of an inexperienced user who wants to implement a recommender system. We compared the predictive performance of 60 AutoML, AutoRecSys, ML, and RecSys algorithms from 15 libraries, including a mean predictor baseline, on 14 explicit feedback RecSys datasets. To simulate the perspective of an inexperienced user, the algorithms were evaluated with default hyperparameters. We found that AutoML and AutoRecSys libraries performed best. AutoML libraries performed best for six of the 14 datasets (43%), but it was not always the same AutoML library performing best. The single-best library was the AutoRecSys library Auto-Surprise, which performed best on five datasets (36%). On three datasets (21%), AutoML libraries performed poorly, and RecSys libraries with default parameters performed best. Although, while obtaining 50% of all placements in the top five per dataset, RecSys algorithms fall behind AutoML on average. ML algorithms generally performed the worst.  ( 2 min )

Topology optimization is a critical task in engineering design, where the goal is to optimally distribute material in a given space for maximum performance. We introduce Neural Implicit Topology Optimization (NITO), a novel approach to accelerate topology optimization problems using deep learning. NITO stands out as one of the first frameworks to offer a resolution-free and domain-agnostic solution in deep learning-based topology optimization. NITO synthesizes structures with up to seven times better structural efficiency compared to SOTA diffusion models and does so in a tenth of the time. In the NITO framework, we introduce a novel method, the Boundary Point Order-Invariant MLP (BPOM), to represent boundary conditions in a sparse and domain-agnostic manner, moving away from expensive simulation-based approaches. Crucially, NITO circumvents the domain and resolution limitations that restrict Convolutional Neural Network (CNN) models to a structured domain of fixed size -- limitations that hinder the widespread adoption of CNNs in engineering applications. This generalizability allows a single NITO model to train and generate solutions in countless domains, eliminating the need for numerous domain-specific CNNs and their extensive datasets. Despite its generalizability, NITO outperforms SOTA models even in specialized tasks, is an order of magnitude smaller, and is practically trainable at high resolutions that would be restrictive for CNNs. This combination of versatility, efficiency, and performance underlines NITO's potential to transform the landscape of engineering design optimization problems through implicit fields.  ( 3 min )

Graphical models capture relations between entities in a wide range of applications including social networks, biology, and natural language processing, among others. Graph neural networks (GNN) are neural models that operate over graphs, enabling the model to leverage the complex relationships and dependencies in graph-structured data. A graph explanation is a subgraph which is an `almost sufficient' statistic of the input graph with respect to its classification label. Consequently, the classification label is invariant, with high probability, to perturbations of graph edges not belonging to its explanation subgraph. This work considers two methods for leveraging such perturbation invariances in the design and training of GNNs. First, explanation-assisted learning rules are considered. It is shown that the sample complexity of explanation-assisted learning can be arbitrarily smaller than explanation-agnostic learning. Next, explanation-assisted data augmentation is considered, where the training set is enlarged by artificially producing new training samples via perturbation of the non-explanation edges in the original training set. It is shown that such data augmentation methods may improve performance if the augmented data is in-distribution, however, it may also lead to worse sample complexity compared to explanation-agnostic learning rules if the augmented data is out-of-distribution. Extensive empirical evaluations are provided to verify the theoretical analysis.  ( 2 min )

The partial monitoring (PM) framework provides a theoretical formulation of sequential learning problems with incomplete feedback. On each round, a learning agent plays an action while the environment simultaneously chooses an outcome. The agent then observes a feedback signal that is only partially informative about the (unobserved) outcome. The agent leverages the received feedback signals to select actions that minimize the (unobserved) cumulative loss. In contextual PM, the outcomes depend on some side information that is observable by the agent before selecting the action on each round. In this paper, we consider the contextual and non-contextual PM settings with stochastic outcomes. We introduce a new class of strategies based on the randomization of deterministic confidence bounds, that extend regret guarantees to settings where existing stochastic strategies are not applicable. Our experiments show that the proposed RandCBP and RandCBPside* strategies improve state-of-the-art baselines in PM games. To encourage the adoption of the PM framework, we design a use case on the real-world problem of monitoring the error rate of any deployed classification system.  ( 2 min )

This paper presents an approach integrating explainable artificial intelligence (XAI) techniques with adaptive learning to enhance energy consumption prediction models, with a focus on handling data distribution shifts. Leveraging SHAP clustering, our method provides interpretable explanations for model predictions and uses these insights to adaptively refine the model, balancing model complexity with predictive performance. We introduce a three-stage process: (1) obtaining SHAP values to explain model predictions, (2) clustering SHAP values to identify distinct patterns and outliers, and (3) refining the model based on the derived SHAP clustering characteristics. Our approach mitigates overfitting and ensures robustness in handling data distribution shifts. We evaluate our method on a comprehensive dataset comprising energy consumption records of buildings, as well as two additional datasets to assess the transferability of our approach to other domains, regression, and classification problems. Our experiments demonstrate the effectiveness of our approach in both task types, resulting in improved predictive performance and interpretable model explanations.  ( 2 min )

In this study, we present aLLM4TS, an innovative framework that adapts Large Language Models (LLMs) for time-series representation learning. Central to our approach is that we reconceive time-series forecasting as a self-supervised, multi-patch prediction task, which, compared to traditional mask-and-reconstruction methods, captures temporal dynamics in patch representations more effectively. Our strategy encompasses two-stage training: (i). a causal continual pre-training phase on various time-series datasets, anchored on next patch prediction, effectively syncing LLM capabilities with the intricacies of time-series data; (ii). fine-tuning for multi-patch prediction in the targeted time-series context. A distinctive element of our framework is the patch-wise decoding layer, which departs from previous methods reliant on sequence-level decoding. Such a design directly transposes individual patches into temporal sequences, thereby significantly bolstering the model's proficiency in mastering temporal patch-based representations. aLLM4TS demonstrates superior performance in several downstream tasks, proving its effectiveness in deriving temporal representations with enhanced transferability and marking a pivotal advancement in the adaptation of LLMs for time-series analysis.  ( 2 min )

A common way of partitioning graphs is through minimum cuts. One drawback of classical minimum cut methods is that they tend to produce small groups, which is why more balanced variants such as normalized and ratio cuts have seen more success. However, we believe that with these variants, the balance constraints can be too restrictive for some applications like for clustering of imbalanced datasets, while not being restrictive enough for when searching for perfectly balanced partitions. Here, we propose a new graph cut algorithm for partitioning graphs under arbitrary size constraints. We formulate the graph cut problem as a regularized Gromov-Wasserstein problem. We then propose to solve it using accelerated proximal GD algorithm which has global convergence guarantees, results in sparse solutions and only incurs an additional ratio of $\mathcal{O}(\log(n))$ compared to the classical spectral clustering algorithm but was seen to be more efficient.  ( 2 min )

Obtaining meaningful solutions for inverse problems has been a major challenge with many applications in science and engineering. Recent machine learning techniques based on proximal and diffusion-based methods have shown promising results. However, as we show in this work, they can also face challenges when applied to some exemplary problems. We show that similar to previous works on over-complete dictionaries, it is possible to overcome these shortcomings by embedding the solution into higher dimensions. The novelty of the work proposed is that we jointly design and learn the embedding and the regularizer for the embedding vector. We demonstrate the merit of this approach on several exemplary and common inverse problems.  ( 2 min )

We investigate the computational limits of the memory retrieval dynamics of modern Hopfield models from the fine-grained complexity analysis. Our key contribution is the characterization of a phase transition behavior in the efficiency of all possible modern Hopfield models based on the norm of patterns. Specifically, we establish an upper bound criterion for the norm of input query patterns and memory patterns. Only below this criterion, sub-quadratic (efficient) variants of the modern Hopfield model exist, assuming the Strong Exponential Time Hypothesis (SETH). To showcase our theory, we provide a formal example of efficient constructions of modern Hopfield models using low-rank approximation when the efficient criterion holds. This includes a derivation of a lower bound on the computational time, scaling linearly with $\Max\{$# of stored memory patterns, length of input query sequence$\}$. In addition, we prove its memory retrieval error bound and exponential memory capacity.  ( 2 min )

Synthetic Electronic Health Records (EHR) have emerged as a pivotal tool in advancing healthcare applications and machine learning models, particularly for researchers without direct access to healthcare data. Although existing methods, like rule-based approaches and generative adversarial networks (GANs), generate synthetic data that resembles real-world EHR data, these methods often use a tabular format, disregarding temporal dependencies in patient histories and limiting data replication. Recently, there has been a growing interest in leveraging Generative Pre-trained Transformers (GPT) for EHR data. This enables applications like disease progression analysis, population estimation, counterfactual reasoning, and synthetic data generation. In this work, we focus on synthetic data generation and demonstrate the capability of training a GPT model using a particular patient representation derived from CEHR-BERT, enabling us to generate patient sequences that can be seamlessly converted to the Observational Medical Outcomes Partnership (OMOP) data format.  ( 2 min )

We propose fine-tuning large language models for generation of stable materials. While unorthodox, fine-tuning large language models on text-encoded atomistic data is simple to implement yet reliable, with around 90% of sampled structures obeying physical constraints on atom positions and charges. Using energy above hull calculations from both learned ML potentials and gold-standard DFT calculations, we show that our strongest model (fine-tuned LLaMA-2 70B) can generate materials predicted to be metastable at about twice the rate (49% vs 28%) of CDVAE, a competing diffusion model. Because of text prompting's inherent flexibility, our models can simultaneously be used for unconditional generation of stable material, infilling of partial structures and text-conditional generation. Finally, we show that language models' ability to capture key symmetries of crystal structures improves with model scale, suggesting that the biases of pretrained LLMs are surprisingly well-suited for atomistic data.  ( 2 min )

Conformal prediction, as an emerging uncertainty qualification technique, constructs prediction sets that are guaranteed to contain the true label with high probability. Previous works usually employ temperature scaling to calibrate the classifier, assuming that confidence calibration can benefit conformal prediction. In this work, we first show that post-hoc calibration methods surprisingly lead to larger prediction sets with improved calibration, while over-confidence with small temperatures benefits the conformal prediction performance instead. Theoretically, we prove that high confidence reduces the probability of appending a new class in the prediction set. Inspired by the analysis, we propose a novel method, $\textbf{Conformal Temperature Scaling}$ (ConfTS), which rectifies the objective through the gap between the threshold and the non-conformity score of the ground-truth label. In this way, the new objective of ConfTS will optimize the temperature value toward an optimal set that satisfies the $\textit{marginal coverage}$. Experiments demonstrate that our method can effectively improve widely-used conformal prediction methods.  ( 2 min )

Diffusion-based imitation learning improves Behavioral Cloning (BC) on multi-modal decision-making, but comes at the cost of significantly slower inference due to the recursion in the diffusion process. It urges us to design efficient policy generators while keeping the ability to generate diverse actions. To address this challenge, we propose AdaFlow, an imitation learning framework based on flow-based generative modeling. AdaFlow represents the policy with state-conditioned ordinary differential equations (ODEs), which are known as probability flows. We reveal an intriguing connection between the conditional variance of their training loss and the discretization error of the ODEs. With this insight, we propose a variance-adaptive ODE solver that can adjust its step size in the inference stage, making AdaFlow an adaptive decision-maker, offering rapid inference without sacrificing diversity. Interestingly, it automatically reduces to a one-step generator when the action distribution is uni-modal. Our comprehensive empirical evaluation shows that AdaFlow achieves high performance across all dimensions, including success rate, behavioral diversity, and inference speed. The code is available at https://github.com/hxixixh/AdaFlow  ( 2 min )

Precipitation nowcasting based on radar data plays a crucial role in extreme weather prediction and has broad implications for disaster management. Despite progresses have been made based on deep learning, two key challenges of precipitation nowcasting are not well-solved: (i) the modeling of complex precipitation system evolutions with different scales, and (ii) accurate forecasts for extreme precipitation. In this work, we propose CasCast, a cascaded framework composed of a deterministic and a probabilistic part to decouple the predictions for mesoscale precipitation distributions and small-scale patterns. Then, we explore training the cascaded framework at the high resolution and conducting the probabilistic modeling in a low dimensional latent space with a frame-wise-guided diffusion transformer for enhancing the optimization of extreme events while reducing computational costs. Extensive experiments on three benchmark radar precipitation datasets show that CasCast achieves competitive performance. Especially, CasCast significantly surpasses the baseline (up to +91.8%) for regional extreme-precipitation nowcasting.  ( 2 min )

Symbolic regression (SR) searches for analytical expressions representing the relationship between a set of explanatory and response variables. Current SR methods assume a single dataset extracted from a single experiment. Nevertheless, frequently, the researcher is confronted with multiple sets of results obtained from experiments conducted with different setups. Traditional SR methods may fail to find the underlying expression since the parameters of each experiment can be different. In this work we present Multi-View Symbolic Regression (MvSR), which takes into account multiple datasets simultaneously, mimicking experimental environments, and outputs a general parametric solution. This approach fits the evaluated expression to each independent dataset and returns a parametric family of functions f(x; \theta) simultaneously capable of accurately fitting all datasets. We demonstrate the effectiveness of MvSR using data generated from known expressions, as well as real-world data from astronomy, chemistry and economy, for which an a priori analytical expression is not available. Results show that MvSR obtains the correct expression more frequently and is robust to hyperparameters change. In real-world data, it is able to grasp the group behaviour, recovering known expressions from the literature as well as promising alternatives, thus enabling the use SR to a large range of experimental scenarios.  ( 2 min )

Resilience against stragglers is a critical element of prediction serving systems, tasked with executing inferences on input data for a pre-trained machine-learning model. In this paper, we propose NeRCC, as a general straggler-resistant framework for approximate coded computing. NeRCC includes three layers: (1) encoding regression and sampling, which generates coded data points, as a combination of original data points, (2) computing, in which a cluster of workers run inference on the coded data points, (3) decoding regression and sampling, which approximately recovers the predictions of the original data points from the available predictions on the coded data points. We argue that the overall objective of the framework reveals an underlying interconnection between two regression models in the encoding and decoding layers. We propose a solution to the nested regressions problem by summarizing their dependence on two regularization terms that are jointly optimized. Our extensive experiments on different datasets and various machine learning models, including LeNet5, RepVGG, and Vision Transformer (ViT), demonstrate that NeRCC accurately approximates the original predictions in a wide range of stragglers, outperforming the state-of-the-art by up to 23%.  ( 2 min )

Hypergraph Neural Networks (HGNNs) have recently attracted much attention and exhibited satisfactory performance due to their superiority in high-order correlation modeling. However, it is noticed that the high-order modeling capability of hypergraph also brings increased computation complexity, which hinders its practical industrial deployment. In practice, we find that one key barrier to the efficient deployment of HGNNs is the high-order structural dependencies during inference. In this paper, we propose to bridge the gap between the HGNNs and inference-efficient Multi-Layer Perceptron (MLPs) to eliminate the hypergraph dependency of HGNNs and thus reduce computational complexity as well as improve inference speed. Specifically, we introduce LightHGNN and LightHGNN$^+$ for fast inference with low complexity. LightHGNN directly distills the knowledge from teacher HGNNs to student MLPs via soft labels, and LightHGNN$^+$ further explicitly injects reliable high-order correlations into the student MLPs to achieve topology-aware distillation and resistance to over-smoothing. Experiments on eight hypergraph datasets demonstrate that even without hypergraph dependency, the proposed LightHGNNs can still achieve competitive or even better performance than HGNNs and outperform vanilla MLPs by $16.3$ on average. Extensive experiments on three graph datasets further show the average best performance of our LightHGNNs compared with all other methods. Experiments on synthetic hypergraphs with 5.5w vertices indicate LightHGNNs can run $100\times$ faster than HGNNs, showcasing their ability for latency-sensitive deployments.  ( 2 min )

The growing use of machine learning (ML) has raised concerns that an ML model may reveal private information about an individual who has contributed to the training dataset. To prevent leakage of sensitive data, we consider using differentially-private (DP), synthetic training data instead of real training data to train an ML model. A key desirable property of synthetic data is its ability to preserve the low-order marginals of the original distribution. Our main contribution comprises novel upper and lower bounds on the excess empirical risk of linear models trained on such synthetic data, for continuous and Lipschitz loss functions. We perform extensive experimentation alongside our theoretical results.  ( 2 min )

Linear attentions have shown potential for improving Transformer efficiency, reducing attention's quadratic complexity to linear in sequence length. This holds exciting promise for (1) training linear Transformers from scratch, (2) "finetuned-conversion" of task-specific Transformers into linear versions that recover task performance, and (3) "pretrained-conversion" of Transformers such as large language models into linear versions finetunable on downstream tasks. However, linear attentions often underperform standard softmax attention in quality. To close this performance gap, we find prior linear attentions lack key properties of softmax attention tied to good performance: low-entropy (or "spiky") weights and dot-product monotonicity. We further observe surprisingly simple feature maps that retain these properties and match softmax performance, but are inefficient to compute in linear attention. We thus propose Hedgehog, a learnable linear attention that retains the spiky and monotonic properties of softmax attention while maintaining linear complexity. Hedgehog uses simple trainable MLPs to produce attention weights mimicking softmax attention. Experiments show Hedgehog recovers over 99% of standard Transformer quality in train-from-scratch and finetuned-conversion settings, outperforming prior linear attentions up to 6 perplexity points on WikiText-103 with causal GPTs, and up to 8.7 GLUE score points on finetuned bidirectional BERTs. Hedgehog also enables pretrained-conversion. Converting a pretrained GPT-2 into a linear attention variant achieves state-of-the-art 16.7 perplexity on WikiText-103 for 125M subquadratic decoder models. We finally turn a pretrained Llama-2 7B into a viable linear attention Llama. With low-rank adaptation, Hedgehog-Llama2 7B achieves 28.1 higher ROUGE-1 points over the base standard attention model, where prior linear attentions lead to 16.5 point drops.  ( 3 min )

Although physics-informed neural networks (PINNs) have shown great potential in dealing with nonlinear partial differential equations (PDEs), it is common that PINNs will suffer from the problem of insufficient precision or obtaining incorrect outcomes. Unlike most of the existing solutions trying to enhance the ability of PINN by optimizing the training process, this paper improved the neural network architecture to improve the performance of PINN. We propose a densely multiply PINN (DM-PINN) architecture, which multiplies the output of a hidden layer with the outputs of all the behind hidden layers. Without introducing more trainable parameters, this effective mechanism can significantly improve the accuracy of PINNs. The proposed architecture is evaluated on four benchmark examples (Allan-Cahn equation, Helmholtz equation, Burgers equation and 1D convection equation). Comparisons between the proposed architecture and different PINN structures demonstrate the superior performance of the DM-PINN in both accuracy and efficiency.  ( 2 min )

Vision-language models (VLMs) have emerged as formidable tools, showing their strong capability in handling various open-vocabulary tasks in image recognition, text-driven visual content generation, and visual chatbots, to name a few. In recent years, considerable efforts and resources have been devoted to adaptation methods for improving downstream performance of VLMs, particularly on parameter-efficient fine-tuning methods like prompt learning. However, a crucial aspect that has been largely overlooked is the confidence calibration problem in fine-tuned VLMs, which could greatly reduce reliability when deploying such models in the real world. This paper bridges the gap by systematically investigating the confidence calibration problem in the context of prompt learning and reveals that existing calibration methods are insufficient to address the problem, especially in the open-vocabulary setting. To solve the problem, we present a simple and effective approach called Distance-Aware Calibration (DAC), which is based on scaling the temperature using as guidance the distance between predicted text labels and base classes. The experiments with 7 distinct prompt learning methods applied across 11 diverse downstream datasets demonstrate the effectiveness of DAC, which achieves high efficacy without sacrificing the inference speed.  ( 2 min )

Algorithms designed for addressing typical supervised classification problems can only learn from a fixed set of samples and labels, making them unsuitable for the real world, where data arrives as a stream of samples often associated with multiple labels over time. This motivates the study of task-agnostic continual multi-label learning problems. While algorithms using deep learning approaches for continual multi-label learning have been proposed in the recent literature, they tend to be computationally heavy. Although spiking neural networks (SNNs) offer a computationally efficient alternative to artificial neural networks, existing literature has not used SNNs for continual multi-label learning. Also, accurately determining multiple labels with SNNs is still an open research problem. This work proposes a dual output spiking architecture (DOSA) to bridge these research gaps. A novel imbalance-aware loss function is also proposed, improving the multi-label classification performance of the model by making it more robust to data imbalance. A modified F1 score is presented to evaluate the effectiveness of the proposed loss function in handling imbalance. Experiments on several benchmark multi-label datasets show that DOSA trained with the proposed loss function shows improved robustness to data imbalance and obtains better continual multi-label learning performance than CIFDM, a previous state-of-the-art algorithm.  ( 3 min )

Large Language Models (LLMs) have a natural role in answering complex queries about data streams, but the high computational cost of LLM inference makes them infeasible in many such tasks. We propose online cascade learning, the first approach to addressing this challenge. The objective here is to learn a "cascade" of models, starting with lower-capacity models (such as logistic regressors) and ending with a powerful LLM, along with a deferral policy that determines the model that is used on a given input. We formulate the task of learning cascades online as an imitation-learning problem and give a no-regret algorithm for the problem. Experimental results across four benchmarks show that our method parallels LLMs in accuracy while cutting down inference costs by as much as 90%, underscoring its efficacy and adaptability in stream processing.  ( 2 min )

We study a robust multi-agent multi-armed bandit problem where multiple clients or participants are distributed on a fully decentralized blockchain, with the possibility of some being malicious. The rewards of arms are homogeneous among the clients, following time-invariant stochastic distributions that are revealed to the participants only when the system is secure enough. The system's objective is to efficiently ensure the cumulative rewards gained by the honest participants. To this end and to the best of our knowledge, we are the first to incorporate advanced techniques from blockchains, as well as novel mechanisms, into the system to design optimal strategies for honest participants. This allows various malicious behaviors and the maintenance of participant privacy. More specifically, we randomly select a pool of validators who have access to all participants, design a brand-new consensus mechanism based on digital signatures for these validators, invent a UCB-based strategy that requires less information from participants through secure multi-party computation, and design the chain-participant interaction and an incentive mechanism to encourage participants' participation. Notably, we are the first to prove the theoretical guarantee of the proposed algorithms by regret analyses in the context of optimality in blockchains. Unlike existing work that integrates blockchains with learning problems such as federated learning which mainly focuses on numerical optimality, we demonstrate that the regret of honest participants is upper bounded by $log{T}$. This is consistent with the multi-agent multi-armed bandit problem without malicious participants and the robust multi-agent multi-armed bandit problem with purely Byzantine attacks.  ( 2 min )

Pretrained large language models (LLMs) exhibit exceptional general language processing capabilities but come with significant demands on memory and computational resources. As a powerful compression technology, binarization can extremely reduce model weights to a mere 1 bit, lowering the expensive computation and memory requirements. However, existing quantization techniques fall short of maintaining LLM performance under ultra-low bit-widths. In response to this challenge, we present BiLLM, a groundbreaking 1-bit post-training quantization scheme tailored for pretrained LLMs. Based on the weight distribution of LLMs, BiLLM first identifies and structurally selects salient weights, and minimizes the compression loss through an effective binary residual approximation strategy. Moreover, considering the bell-shaped distribution of the non-salient weights, we propose an optimal splitting search to group and binarize them accurately. BiLLM achieving for the first time high-accuracy inference (e.g. 8.41 perplexity on LLaMA2-70B) with only 1.08-bit weights across various LLMs families and evaluation metrics, outperforms SOTA quantization methods of LLM by significant margins. Moreover, BiLLM enables the binarization process of the LLM with 7 billion weights within 0.5 hours on a single GPU, demonstrating satisfactory time efficiency.  ( 2 min )

Offline reinforcement learning (RL) aims to learn a policy that maximizes the expected cumulative reward using a pre-collected dataset. Offline RL with low-rank MDPs or general function approximation has been widely studied recently, but existing algorithms with sample complexity $O(\epsilon^{-2})$ for finding an $\epsilon$-optimal policy either require a uniform data coverage assumptions or are computationally inefficient. In this paper, we propose a primal dual algorithm for offline RL with low-rank MDPs in the discounted infinite-horizon setting. Our algorithm is the first computationally efficient algorithm in this setting that achieves sample complexity of $O(\epsilon^{-2})$ with partial data coverage assumption. This improves upon a recent work that requires $O(\epsilon^{-4})$ samples. Moreover, our algorithm extends the previous work to the offline constrained RL setting by supporting constraints on additional reward signals.  ( 2 min )

This paper presents a new method for combining (or aggregating or ensembling) multivariate probabilistic forecasts, considering dependencies between quantiles and marginals through a smoothing procedure that allows for online learning. We discuss two smoothing methods: dimensionality reduction using Basis matrices and penalized smoothing. The new online learning algorithm generalizes the standard CRPS learning framework into multivariate dimensions. It is based on Bernstein Online Aggregation (BOA) and yields optimal asymptotic learning properties. The procedure uses horizontal aggregation, i.e., aggregation across quantiles. We provide an in-depth discussion on possible extensions of the algorithm and several nested cases related to the existing literature on online forecast combination. We apply the proposed methodology to forecasting day-ahead electricity prices, which are 24-dimensional distributional forecasts. The proposed method yields significant improvements over uniform combination in terms of continuous ranked probability score (CRPS). We discuss the temporal evolution of the weights and hyperparameters and present the results of reduced versions of the preferred model. A fast C++ implementation of the proposed algorithm is provided in the open-source R-Package profoc on CRAN.  ( 3 min )

We study how to make decisions that minimize Bayesian regret in offline linear bandits. Prior work suggests that one must take actions with maximum lower confidence bound (LCB) on their reward. We argue that reliance on LCB is inherently flawed in this setting and propose a new algorithm that directly minimizes upper bounds on the Bayesian regret using efficient conic optimization solvers. Our bounds build heavily on new connections to monetary risk measures. Proving a matching lower bound, we show that our upper bounds are tight, and by minimizing them we are guaranteed to outperform the LCB approach. Our numerical results on synthetic domains confirm that our approach is superior to maximizing LCB.  ( 2 min )

In machine learning, it is common to optimize the parameters of a probabilistic model, modulated by an ad hoc regularization term that penalizes some values of the parameters. Regularization terms appear naturally in Variational Inference, a tractable way to approximate Bayesian posteriors: the loss to optimize contains a Kullback--Leibler divergence term between the approximate posterior and a Bayesian prior. We fully characterize the regularizers that can arise according to this procedure, and provide a systematic way to compute the prior corresponding to a given penalty. Such a characterization can be used to discover constraints over the penalty function, so that the overall procedure remains Bayesian.  ( 2 min )

In this paper, we introduce a new flow-based method for global optimization of Lipschitz functions, called Stein Boltzmann Sampling (SBS). Our method samples from the Boltzmann distribution that becomes asymptotically uniform over the set of the minimizers of the function to be optimized. Candidate solutions are sampled via the \emph{Stein Variational Gradient Descent} algorithm. We prove the asymptotic convergence of our method, introduce two SBS variants, and provide a detailed comparison with several state-of-the-art global optimization algorithms on various benchmark functions. The design of our method, the theoretical results, and our experiments, suggest that SBS is particularly well-suited to be used as a continuation of efficient global optimization methods as it can produce better solutions while making a good use of the budget.  ( 2 min )

We consider online learning in the model where a learning algorithm can access the class only via the \emph{consistent oracle} -- an oracle, that, at any moment, can give a function from the class that agrees with all examples seen so far. This model was recently considered by Assos et al.~(COLT'23). It is motivated by the fact that standard methods of online learning rely on computing the Littlestone dimension of subclasses, a computationally intractable problem. Assos et al.~gave an online learning algorithm in this model that makes at most $C^d$ mistakes on classes of Littlestone dimension $d$, for some absolute unspecified constant $C > 0$. We give a novel algorithm that makes at most $O(256^d)$ mistakes. Our proof is significantly simpler and uses only very basic properties of the Littlestone dimension. We also show that there exists no algorithm in this model that makes less than $3^d$ mistakes.  ( 2 min )

Choosing appropriate hyperparameters plays a crucial role in the success of neural networks as hyper-parameters directly control the behavior and performance of the training algorithms. To obtain efficient tuning, Bayesian optimization methods based on Gaussian process (GP) models are widely used. Despite numerous applications of Bayesian optimization in deep learning, the existing methodologies are developed based on a convenient but restrictive assumption that the tuning parameters are independent of each other. However, tuning parameters with conditional dependence are common in practice. In this paper, we focus on two types of them: branching and nested parameters. Nested parameters refer to those tuning parameters that exist only within a particular setting of another tuning parameter, and a parameter within which other parameters are nested is called a branching parameter. To capture the conditional dependence between branching and nested parameters, a unified Bayesian optimization framework is proposed. The sufficient conditions are rigorously derived to guarantee the validity of the kernel function, and the asymptotic convergence of the proposed optimization framework is proven under the continuum-armed-bandit setting. Based on the new GP model, which accounts for the dependent structure among input variables through a new kernel function, higher prediction accuracy and better optimization efficiency are observed in a series of synthetic simulations and real data applications of neural networks. Sensitivity analysis is also performed to provide insights into how changes in hyperparameter values affect prediction accuracy.  ( 2 min )

Diffusion models have emerged as a powerful tool rivaling GANs in generating high-quality samples with improved fidelity, flexibility, and robustness. A key component of these models is to learn the score function through score matching. Despite empirical success on various tasks, it remains unclear whether gradient-based algorithms can learn the score function with a provable accuracy. As a first step toward answering this question, this paper establishes a mathematical framework for analyzing score estimation using neural networks trained by gradient descent. Our analysis covers both the optimization and the generalization aspects of the learning procedure. In particular, we propose a parametric form to formulate the denoising score-matching problem as a regression with noisy labels. Compared to the standard supervised learning setup, the score-matching problem introduces distinct challenges, including unbounded input, vector-valued output, and an additional time variable, preventing existing techniques from being applied directly. In this paper, we show that with a properly designed neural network architecture, the score function can be accurately approximated by a reproducing kernel Hilbert space induced by neural tangent kernels. Furthermore, by applying an early-stopping rule for gradient descent and leveraging certain coupling arguments between neural network training and kernel regression, we establish the first generalization error (sample complexity) bounds for learning the score function despite the presence of noise in the observations. Our analysis is grounded in a novel parametric form of the neural network and an innovative connection between score matching and regression analysis, facilitating the application of advanced statistical and optimization techniques.  ( 3 min )

We focus on constrained, $L$-smooth, nonconvex-nonconcave min-max problems either satisfying $\rho$-cohypomonotonicity or admitting a solution to the $\rho$-weakly Minty Variational Inequality (MVI), where larger values of the parameter $\rho>0$ correspond to a greater degree of nonconvexity. These problem classes include examples in two player reinforcement learning, interaction dominant min-max problems, and certain synthetic test problems on which classical min-max algorithms fail. It has been conjectured that first-order methods can tolerate value of $\rho$ no larger than $\frac{1}{L}$, but existing results in the literature have stagnated at the tighter requirement $\rho < \frac{1}{2L}$. With a simple argument, we obtain optimal or best-known complexity guarantees with cohypomonotonicity or weak MVI conditions for $\rho < \frac{1}{L}$. The algorithms we analyze are inexact variants of Halpern and Krasnosel'ski\u{\i}-Mann (KM) iterations. We also provide algorithms and complexity guarantees in the stochastic case with the same range on $\rho$. Our main insight for the improvements in the convergence analyses is to harness the recently proposed "conic nonexpansiveness" property of operators. As byproducts, we provide a refined analysis for inexact Halpern iteration and propose a stochastic KM iteration with a multilevel Monte Carlo estimator.  ( 2 min )

We study statistical watermarking by formulating it as a hypothesis testing problem, a general framework which subsumes all previous statistical watermarking methods. Key to our formulation is a coupling of the output tokens and the rejection region, realized by pseudo-random generators in practice, that allows non-trivial trade-offs between the Type I error and Type II error. We characterize the Uniformly Most Powerful (UMP) watermark in the general hypothesis testing setting and the minimax Type II error in the model-agnostic setting. In the common scenario where the output is a sequence of $n$ tokens, we establish nearly matching upper and lower bounds on the number of i.i.d. tokens required to guarantee small Type I and Type II errors. Our rate of $\Theta(h^{-1} \log (1/h))$ with respect to the average entropy per token $h$ highlights potentials for improvement from the rate of $h^{-2}$ in the previous works. Moreover, we formulate the robust watermarking problem where the user is allowed to perform a class of perturbations on the generated texts, and characterize the optimal Type II error of robust UMP tests via a linear programming problem. To the best of our knowledge, this is the first systematic statistical treatment on the watermarking problem with near-optimal rates in the i.i.d. setting, which might be of interest for future works.  ( 3 min )

We explore two primary classes of approaches to dimensionality reduction (DR): Independent Dimensionality Reduction (IDR) and Simultaneous Dimensionality Reduction (SDR). In IDR methods, of which Principal Components Analysis is a paradigmatic example, each modality is compressed independently, striving to retain as much variation within each modality as possible. In contrast, in SDR, one simultaneously compresses the modalities to maximize the covariation between the reduced descriptions while paying less attention to how much individual variation is preserved. Paradigmatic examples include Partial Least Squares and Canonical Correlations Analysis. Even though these DR methods are a staple of statistics, their relative accuracy and data set size requirements are poorly understood. We introduce a generative linear model to synthesize multimodal data with known variance and covariance structures to examine these questions. We assess the accuracy of the reconstruction of the covariance structures as a function of the number of samples, signal-to-noise ratio, and the number of varying and covarying signals in the data. Using numerical experiments, we demonstrate that linear SDR methods consistently outperform linear IDR methods and yield higher-quality, more succinct reduced-dimensional representations with smaller datasets. Remarkably, regularized CCA can identify low-dimensional weak covarying structures even when the number of samples is much smaller than the dimensionality of the data, which is a regime challenging for all dimensionality reduction methods. Our work corroborates and explains previous observations in the literature that SDR can be more effective in detecting covariation patterns in data. These findings suggest that SDR should be preferred to IDR in real-world data analysis when detecting covariation is more important than preserving variation.  ( 3 min )

Knowledge of the effect of interventions, called the treatment effect, is paramount for decision-making. Approaches to estimating this treatment effect, e.g. by using Conditional Average Treatment Effect (CATE) estimators, often only provide a point estimate of this treatment effect, while additional uncertainty quantification is frequently desired instead. Therefore, we present a novel method, the Conformal Monte Carlo (CMC) meta-learners, leveraging conformal predictive systems, Monte Carlo sampling, and CATE meta-learners, to instead produce a predictive distribution usable in individualized decision-making. Furthermore, we show how specific assumptions on the noise distribution of the outcome heavily affect these uncertainty predictions. Nonetheless, the CMC framework shows strong experimental coverage while retaining small interval widths to provide estimates of the true individual treatment effect.  ( 2 min )

Persistent homology (PH) provides topological descriptors for geometric data, such as weighted graphs, which are interpretable, stable to perturbations, and invariant under, e.g., relabeling. Most applications of PH focus on the one-parameter case -- where the descriptors summarize the changes in topology of data as it is filtered by a single quantity of interest -- and there is now a wide array of methods enabling the use of one-parameter PH descriptors in data science, which rely on the stable vectorization of these descriptors as elements of a Hilbert space. Although the multiparameter PH (MPH) of data that is filtered by several quantities of interest encodes much richer information than its one-parameter counterpart, the scarceness of stability results for MPH descriptors has so far limited the available options for the stable vectorization of MPH. In this paper, we aim to bring together the best of both worlds by showing how the interpretation of signed barcodes -- a recent family of MPH descriptors -- as signed measures leads to natural extensions of vectorization strategies from one parameter to multiple parameters. The resulting feature vectors are easy to define and to compute, and provably stable. While, as a proof of concept, we focus on simple choices of signed barcodes and vectorizations, we already see notable performance improvements when comparing our feature vectors to state-of-the-art topology-based methods on various types of data.  ( 3 min )

Good arm identification (GAI) is a pure-exploration bandit problem in which a single learner outputs an arm as soon as it is identified as a good arm. A good arm is defined as an arm with an expected reward greater than or equal to a given threshold. This paper focuses on the GAI problem under a small threshold gap, which refers to the distance between the expected rewards of arms and the given threshold. We propose a new algorithm called lil'HDoC to significantly improve the total sample complexity of the HDoC algorithm. We demonstrate that the sample complexity of the first $\lambda$ output arm in lil'HDoC is bounded by the original HDoC algorithm, except for one negligible term, when the distance between the expected reward and threshold is small. Extensive experiments confirm that our algorithm outperforms the state-of-the-art algorithms in both synthetic and real-world datasets.  ( 2 min )

We study the adversarial bandit problem against arbitrary strategies, in which $S$ is the parameter for the hardness of the problem and this parameter is not given to the agent. To handle this problem, we adopt the master-base framework using the online mirror descent method (OMD). We first provide a master-base algorithm with simple OMD, achieving $\tilde{O}(S^{1/2}K^{1/3}T^{2/3})$, in which $T^{2/3}$ comes from the variance of loss estimators. To mitigate the impact of the variance, we propose using adaptive learning rates for OMD and achieve $\tilde{O}(\min\{\mathbb{E}[\sqrt{SKT\rho_T(h^\dagger)}],S\sqrt{KT}\})$, where $\rho_T(h^\dagger)$ is a variance term for loss estimators.  ( 2 min )

Bayesian Generalized Linear Models (GLMs) define a flexible probabilistic framework to model categorical, ordinal and continuous data, and are widely used in practice. However, exact inference in GLMs is prohibitively expensive for large datasets, thus requiring approximations in practice. The resulting approximation error adversely impacts the reliability of the model and is not accounted for in the uncertainty of the prediction. In this work, we introduce a family of iterative methods that explicitly model this error. They are uniquely suited to parallel modern computing hardware, efficiently recycle computations, and compress information to reduce both the time and memory requirements for GLMs. As we demonstrate on a realistically large classification problem, our method significantly accelerates training compared to competitive baselines by trading off reduced computation for increased uncertainty.  ( 2 min )

We study online changepoint detection in the context of a linear regression model. We propose a class of heavily weighted statistics based on the CUSUM process of the regression residuals, which are specifically designed to ensure timely detection of breaks occurring early on during the monitoring horizon. We subsequently propose a class of composite statistics, constructed using different weighing schemes; the decision rule to mark a changepoint is based on the largest statistic across the various weights, thus effectively working like a veto-based voting mechanism, which ensures fast detection irrespective of the location of the changepoint. Our theory is derived under a very general form of weak dependence, thus being able to apply our tests to virtually all time series encountered in economics, medicine, and other applied sciences. Monte Carlo simulations show that our methodologies are able to control the procedure-wise Type I Error, and have short detection delays in the presence of breaks.  ( 2 min )

In this paper, we present a distribution-dependent PAC-Chernoff bound that is perfectly tight for interpolators even under overparametrized model classes. This bound relies on basic principles of Large Deviation Theory and naturally provides a characterization of the smoothness of a model described as a simple real-valued function. Based on this distribution-dependent bound and the novel definition of smoothness, we propose an unifying theoretical explanation of why some interpolators generalize remarkably well while others not. And why a wide range of modern learning techniques (i.e., $\ell_2$-norm, distance-from-initialization, input-gradient and variance regularization together with data augmentation, invariant architectures, and overparameterization) are able to find them. The emergent conclusion is that all these methods provide complimentary procedures that bias the optimizer to smoother interpolators, which, according to this theoretical analysis, are the ones with better generalization error. One of the main insights of this study is that distribution-dependent bounds serve as a powerful tool better understand the complex dynamics behind the generalization capabilities of highly-overparameterized interpolators.  ( 2 min )

Transformers are neural networks which revolutionised natural language processing and machine learning. They process sequences of inputs, like words, using a mechanism called self-attention, which is trained via masked language modelling (MLM). In MLM, a word is randomly masked in an input sequence, and the network is trained to predict the missing word. Despite the practical success of transformers, it remains unclear what type of data distribution self-attention can learn efficiently. Here, we show analytically that if one decouples the treatment of word positions and embeddings, a single layer of self-attention learns the conditionals of a generalised Potts model with interactions between sites and Potts colours. Moreover, we show that training this neural network is exactly equivalent to solving the inverse Potts problem by the so-called pseudo-likelihood method, well known in statistical physics. Using this mapping, we compute the generalisation error of self-attention in a model scenario analytically using the replica method.  ( 2 min )

We study the loss landscape of both shallow and deep, mildly overparameterized ReLU neural networks on a generic finite input dataset for the squared error loss. We show both by count and volume that most activation patterns correspond to parameter regions with no bad local minima. Furthermore, for one-dimensional input data, we show most activation regions realizable by the network contain a high dimensional set of global minima and no bad local minima. We experimentally confirm these results by finding a phase transition from most regions having full rank Jacobian to many regions having deficient rank depending on the amount of overparameterization.  ( 2 min )

We present a theory of ensemble diversity, explaining the nature of diversity for a wide range of supervised learning scenarios. This challenge has been referred to as the holy grail of ensemble learning, an open research issue for over 30 years. Our framework reveals that diversity is in fact a hidden dimension in the bias-variance decomposition of the ensemble loss. We prove a family of exact bias-variance-diversity decompositions, for a wide range of losses in both regression and classification, e.g., squared, cross-entropy, and Poisson losses. For losses where an additive bias-variance decomposition is not available (e.g., 0/1 loss) we present an alternative approach: quantifying the effects of diversity, which turn out to be dependent on the label distribution. Overall, we argue that diversity is a measure of model fit, in precisely the same sense as bias and variance, but accounting for statistical dependencies between ensemble members. Thus, we should not be maximising diversity as so many works aim to do -- instead, we have a bias/variance/diversity trade-off to manage.  ( 2 min )

This paper concerns the structure of learned representations in text-guided generative models, focusing on score-based models. A key property of such models is that they can compose disparate concepts in a `disentangled' manner. This suggests these models have internal representations that encode concepts in a `disentangled' manner. Here, we focus on the idea that concepts are encoded as subspaces of some representation space. We formalize what this means, show there's a natural choice for the representation, and develop a simple method for identifying the part of the representation corresponding to a given concept. In particular, this allows us to manipulate the concepts expressed by the model through algebraic manipulation of the representation. We demonstrate the idea with examples using Stable Diffusion. Code in https://github.com/zihao12/concept-algebra-code  ( 2 min )

We investigate the contraction properties of locally differentially private mechanisms. More specifically, we derive tight upper bounds on the divergence between $PK$ and $QK$ output distributions of an $\epsilon$-LDP mechanism $K$ in terms of a divergence between the corresponding input distributions $P$ and $Q$, respectively. Our first main technical result presents a sharp upper bound on the $\chi^2$-divergence $\chi^2(PK}\|QK)$ in terms of $\chi^2(P\|Q)$ and $\varepsilon$. We also show that the same result holds for a large family of divergences, including KL-divergence and squared Hellinger distance. The second main technical result gives an upper bound on $\chi^2(PK\|QK)$ in terms of total variation distance $\mathsf{TV}(P, Q)$ and $\epsilon$. We then utilize these bounds to establish locally private versions of the van Trees inequality, Le Cam's, Assouad's, and the mutual information methods, which are powerful tools for bounding minimax estimation risks. These results are shown to lead to better privacy analyses than the state-of-the-arts in several statistical problems such as entropy and discrete distribution estimation, non-parametric density estimation, and hypothesis testing.  ( 2 min )

In this paper, we prove the first Bayesian regret bounds for Thompson Sampling in reinforcement learning in a multitude of settings. We simplify the learning problem using a discrete set of surrogate environments, and present a refined analysis of the information ratio using posterior consistency. This leads to an upper bound of order $\widetilde{O}(H\sqrt{d_{l_1}T})$ in the time inhomogeneous reinforcement learning problem where $H$ is the episode length and $d_{l_1}$ is the Kolmogorov $l_1-$dimension of the space of environments. We then find concrete bounds of $d_{l_1}$ in a variety of settings, such as tabular, linear and finite mixtures, and discuss how how our results are either the first of their kind or improve the state-of-the-art.  ( 2 min )

Decision tree learning is increasingly being used for pointwise inference. Important applications include causal heterogenous treatment effects and dynamic policy decisions, as well as conditional quantile regression and design of experiments, where tree estimation and inference is conducted at specific values of the covariates. In this paper, we call into question the use of decision trees (trained by adaptive recursive partitioning) for such purposes by demonstrating that they can fail to achieve polynomial rates of convergence in uniform norm with non-vanishing probability, even with pruning. Instead, the convergence may be arbitrarily slow or, in some important special cases, such as honest regression trees, fail completely. We show that random forests can remedy the situation, turning poor performing trees into nearly optimal procedures, at the cost of losing interpretability and introducing two additional tuning parameters. The two hallmarks of random forests, subsampling and the random feature selection mechanism, are seen to each distinctively contribute to achieving nearly optimal performance for the model class considered.  ( 2 min )

We study the problem of training diffusion models to sample from a distribution with a given unnormalized density or energy function. We benchmark several diffusion-structured inference methods, including simulation-based variational approaches and off-policy methods (continuous generative flow networks). Our results shed light on the relative advantages of existing algorithms while bringing into question some claims from past work. We also propose a novel exploration strategy for off-policy methods, based on local search in the target space with the use of a replay buffer, and show that it improves the quality of samples on a variety of target distributions. Our code for the sampling methods and benchmarks studied is made public at https://github.com/GFNOrg/gfn-diffusion as a base for future work on diffusion models for amortized inference.  ( 2 min )

In many problems, the measured variables (e.g., image pixels) are just mathematical functions of the hidden causal variables (e.g., the underlying concepts or objects). For the purpose of making predictions in changing environments or making proper changes to the system, it is helpful to recover the hidden causal variables $Z_i$ and their causal relations represented by graph $\mathcal{G}_Z$. This problem has recently been known as causal representation learning. This paper is concerned with a general, completely nonparametric setting of causal representation learning from multiple distributions (arising from heterogeneous data or nonstationary time series), without assuming hard interventions behind distribution changes. We aim to develop general solutions in this fundamental case; as a by product, this helps see the unique benefit offered by other assumptions such as parametric causal models or hard interventions. We show that under the sparsity constraint on the recovered graph over the latent variables and suitable sufficient change conditions on the causal influences, interestingly, one can recover the moralized graph of the underlying directed acyclic graph, and the recovered latent variables and their relations are related to the underlying causal model in a specific, nontrivial way. In some cases, each latent variable can even be recovered up to component-wise transformations. Experimental results verify our theoretical claims.  ( 2 min )

Proper hyperparameter tuning is essential for achieving optimal performance of modern machine learning (ML) methods in predictive tasks. While there is an extensive literature on tuning ML learners for prediction, there is only little guidance available on tuning ML learners for causal machine learning and how to select among different ML learners. In this paper, we empirically assess the relationship between the predictive performance of ML methods and the resulting causal estimation based on the Double Machine Learning (DML) approach by Chernozhukov et al. (2018). DML relies on estimating so-called nuisance parameters by treating them as supervised learning problems and using them as plug-in estimates to solve for the (causal) parameter. We conduct an extensive simulation study using data from the 2019 Atlantic Causal Inference Conference Data Challenge. We provide empirical insights on the role of hyperparameter tuning and other practical decisions for causal estimation with DML. First, we assess the importance of data splitting schemes for tuning ML learners within Double Machine Learning. Second, we investigate how the choice of ML methods and hyperparameters, including recent AutoML frameworks, impacts the estimation performance for a causal parameter of interest. Third, we assess to what extent the choice of a particular causal model, as characterized by incorporated parametric assumptions, can be based on predictive performance metrics.  ( 3 min )

In domains such as ecological systems, collaborations, and the human brain the variables interact in complex ways. Yet accurately characterizing higher-order variable interactions (HOIs) is a difficult problem that is further exacerbated when the HOIs change across the data. To solve this problem we propose a new method called Local Correlation Explanation (CorEx) to capture HOIs at a local scale by first clustering data points based on their proximity on the data manifold. We then use a multivariate version of the mutual information called the total correlation, to construct a latent factor representation of the data within each cluster to learn the local HOIs. We use Local CorEx to explore HOIs in synthetic and real world data to extract hidden insights about the data structure. Lastly, we demonstrate Local CorEx's suitability to explore and interpret the inner workings of trained neural networks.  ( 2 min )

Length generalization -- the ability to generalize to longer sequences than ones seen during training, and compositional generalization -- the ability to generalize to token combinations not seen during training, are crucial forms of out-of-distribution generalization in sequence-to-sequence models. In this work, we take the first steps towards provable length and compositional generalization for a range of architectures, including deep sets, transformers, state space models, and simple recurrent neural nets. Depending on the architecture, we prove different degrees of representation identification, e.g., a linear or a permutation relation with ground truth representation, is necessary for length and compositional generalization.  ( 2 min )

Many sequential classification tasks are affected by label noise that varies over time. Such noise can cause label quality to improve, worsen, or periodically change over time. We first propose and formalize temporal label noise, an unstudied problem for sequential classification of time series. In this setting, multiple labels are recorded in sequence while being corrupted by a time-dependent noise function. We first demonstrate the importance of modelling the temporal nature of the label noise function and how existing methods will consistently underperform. We then propose methods that can train noise-tolerant classifiers by estimating the temporal label noise function directly from data. We show that our methods lead to state-of-the-art performance in the presence of diverse temporal label noise functions using real and synthetic data.  ( 2 min )

We investigate the computational limits of the memory retrieval dynamics of modern Hopfield models from the fine-grained complexity analysis. Our key contribution is the characterization of a phase transition behavior in the efficiency of all possible modern Hopfield models based on the norm of patterns. Specifically, we establish an upper bound criterion for the norm of input query patterns and memory patterns. Only below this criterion, sub-quadratic (efficient) variants of the modern Hopfield model exist, assuming the Strong Exponential Time Hypothesis (SETH). To showcase our theory, we provide a formal example of efficient constructions of modern Hopfield models using low-rank approximation when the efficient criterion holds. This includes a derivation of a lower bound on the computational time, scaling linearly with $\Max\{$# of stored memory patterns, length of input query sequence$\}$. In addition, we prove its memory retrieval error bound and exponential memory capacity.  ( 2 min )

In this manuscript we investigate the problem of how two-layer neural networks learn features from data, and improve over the kernel regime, after being trained with a single gradient descent step. Leveraging a connection from (Ba et al., 2022) with a non-linear spiked matrix model and recent progress on Gaussian universality (Dandi et al., 2023), we provide an exact asymptotic description of the generalization error in the high-dimensional limit where the number of samples $n$, the width $p$ and the input dimension $d$ grow at a proportional rate. We characterize exactly how adapting to the data is crucial for the network to efficiently learn non-linear functions in the direction of the gradient -- where at initialization it can only express linear functions in this regime. To our knowledge, our results provides the first tight description of the impact of feature learning in the generalization of two-layer neural networks in the large learning rate regime $\eta=\Theta_{d}(d)$, beyond perturbative finite width corrections of the conjugate and neural tangent kernels.  ( 2 min )

Bayesian optimization (BO) offers an elegant approach for efficiently optimizing black-box functions. However, acquisition criteria demand their own challenging inner-optimization, which can induce significant overhead. Many practical BO methods, particularly in high dimension, eschew a formal, continuous optimization of the acquisition function and instead search discretely over a finite set of space-filling candidates. Here, we propose to use candidates which lie on the boundary of the Voronoi tessellation of the current design points, so they are equidistant to two or more of them. We discuss strategies for efficient implementation by directly sampling the Voronoi boundary without explicitly generating the tessellation, thus accommodating large designs in high dimension. On a battery of test problems optimized via Gaussian processes with expected improvement, our proposed approach significantly improves the execution time of a multi-start continuous search without a loss in accuracy.  ( 2 min )

This study investigates the asymptotic dynamics of alternating minimization applied to optimize a bilinear non-convex function with normally distributed covariates. We employ the replica method from statistical physics in a multi-step approach to precisely trace the algorithm's evolution. Our findings indicate that the dynamics can be described effectively by a two--dimensional discrete stochastic process, where each step depends on all previous time steps, revealing a memory dependency in the procedure. The theoretical framework developed in this work is broadly applicable for the analysis of various iterative algorithms, extending beyond the scope of alternating minimization.  ( 2 min )

This study investigates leveraging stochastic gradient descent (SGD) to learn operators between general Hilbert spaces. We propose weak and strong regularity conditions for the target operator to depict its intrinsic structure and complexity. Under these conditions, we establish upper bounds for convergence rates of the SGD algorithm and conduct a minimax lower bound analysis, further illustrating that our convergence analysis and regularity conditions quantitatively characterize the tractability of solving operator learning problems using the SGD algorithm. It is crucial to highlight that our convergence analysis is still valid for nonlinear operator learning. We show that the SGD estimator will converge to the best linear approximation of the nonlinear target operator. Moreover, applying our analysis to operator learning problems based on vector-valued and real-valued reproducing kernel Hilbert spaces yields new convergence results, thereby refining the conclusions of existing literature.  ( 2 min )

Autoencoders are a prominent model in many empirical branches of machine learning and lossy data compression. However, basic theoretical questions remain unanswered even in a shallow two-layer setting. In particular, to what degree does a shallow autoencoder capture the structure of the underlying data distribution? For the prototypical case of the 1-bit compression of sparse Gaussian data, we prove that gradient descent converges to a solution that completely disregards the sparse structure of the input. Namely, the performance of the algorithm is the same as if it was compressing a Gaussian source - with no sparsity. For general data distributions, we give evidence of a phase transition phenomenon in the shape of the gradient descent minimizer, as a function of the data sparsity: below the critical sparsity level, the minimizer is a rotation taken uniformly at random (just like in the compression of non-sparse data); above the critical sparsity, the minimizer is the identity (up to a permutation). Finally, by exploiting a connection with approximate message passing algorithms, we show how to improve upon Gaussian performance for the compression of sparse data: adding a denoising function to a shallow architecture already reduces the loss provably, and a suitable multi-layer decoder leads to a further improvement. We validate our findings on image datasets, such as CIFAR-10 and MNIST.  ( 3 min )

Current clustering priors for deep latent variable models (DLVMs) require defining the number of clusters a-priori and are susceptible to poor initializations. Addressing these deficiencies could greatly benefit deep learning-based scRNA-seq analysis by performing integration and clustering simultaneously. We adapt the VampPrior (Tomczak & Welling, 2018) into a Dirichlet process Gaussian mixture model, resulting in the VampPrior Mixture Model (VMM), a novel prior for DLVMs. We propose an inference procedure that alternates between variational inference and Empirical Bayes to cleanly distinguish variational and prior parameters. Using the VMM in a Variational Autoencoder attains highly competitive clustering performance on benchmark datasets. Augmenting scVI (Lopez et al., 2018), a popular scRNA-seq integration method, with the VMM significantly improves its performance and automatically arranges cells into biologically meaningful clusters.  ( 2 min )

We introduce a method to construct a stochastic surrogate model from the results of dimensionality reduction in forward uncertainty quantification. The hypothesis is that the high-dimensional input augmented by the output of a computational model admits a low-dimensional representation. This assumption can be met by numerous uncertainty quantification applications with physics-based computational models. The proposed approach differs from a sequential application of dimensionality reduction followed by surrogate modeling, as we "extract" a surrogate model from the results of dimensionality reduction in the input-output space. This feature becomes desirable when the input space is genuinely high-dimensional. The proposed method also diverges from the Probabilistic Learning on Manifold, as a reconstruction mapping from the feature space to the input-output space is circumvented. The final product of the proposed method is a stochastic simulator that propagates a deterministic input into a stochastic output, preserving the convenience of a sequential "dimensionality reduction + Gaussian process regression" approach while overcoming some of its limitations. The proposed method is demonstrated through two uncertainty quantification problems characterized by high-dimensional input uncertainties.  ( 2 min )

Score-based generative models (SGMs) aim at estimating a target data distribution by learning score functions using only noise-perturbed samples from the target. Recent literature has focused extensively on assessing the error between the target and estimated distributions, gauging the generative quality through the Kullback-Leibler (KL) divergence and Wasserstein distances. All existing results have been obtained so far for time-homogeneous speed of the noise schedule. Under mild assumptions on the data distribution, we establish an upper bound for the KL divergence between the target and the estimated distributions, explicitly depending on any time-dependent noise schedule. Assuming that the score is Lipschitz continuous, we provide an improved error bound in Wasserstein distance, taking advantage of favourable underlying contraction mechanisms. We also propose an algorithm to automatically tune the noise schedule using the proposed upper bound. We illustrate empirically the performance of the noise schedule optimization in comparison to standard choices in the literature.  ( 2 min )

Collecting large quantities of high-quality data is often prohibitively expensive or impractical, and a crucial bottleneck in machine learning. One may instead augment a small set of $n$ data points from the target distribution with data from more accessible sources like public datasets, data collected under different circumstances, or synthesized by generative models. Blurring distinctions, we refer to such data as `surrogate data'. We define a simple scheme for integrating surrogate data into training and use both theoretical models and empirical studies to explore its behavior. Our main findings are: $(i)$ Integrating surrogate data can significantly reduce the test error on the original distribution; $(ii)$ In order to reap this benefit, it is crucial to use optimally weighted empirical risk minimization; $(iii)$ The test error of models trained on mixtures of real and surrogate data is well described by a scaling law. This can be used to predict the optimal weighting and the gain from surrogate data.  ( 2 min )

Many state-of-the-art causal discovery methods aim to generate an output graph that encodes the graphical separation and connection statements of the causal graph that underlies the data-generating process. In this work, we argue that an evaluation of a causal discovery method against synthetic data should include an analysis of how well this explicit goal is achieved by measuring how closely the separations/connections of the method's output align with those of the ground truth. We show that established evaluation measures do not accurately capture the difference in separations/connections of two causal graphs, and we introduce three new measures of distance called s/c-distance, Markov distance and Faithfulness distance that address this shortcoming. We complement our theoretical analysis with toy examples, empirical experiments and pseudocode.  ( 2 min )

The recent breakthrough successes in machine learning are mainly attributed to scale: namely large-scale attention-based architectures and datasets of unprecedented scale. This paper investigates the impact of training at scale for chess. Unlike traditional chess engines that rely on complex heuristics, explicit search, or a combination of both, we train a 270M parameter transformer model with supervised learning on a dataset of 10 million chess games. We annotate each board in the dataset with action-values provided by the powerful Stockfish 16 engine, leading to roughly 15 billion data points. Our largest model reaches a Lichess blitz Elo of 2895 against humans, and successfully solves a series of challenging chess puzzles, without any domain-specific tweaks or explicit search algorithms. We also show that our model outperforms AlphaZero's policy and value networks (without MCTS) and GPT-3.5-turbo-instruct. A systematic investigation of model and dataset size shows that strong chess performance only arises at sufficient scale. To validate our results, we perform an extensive series of ablations of design choices and hyperparameters.  ( 2 min )

Denoising Diffusion Probabilistic Models (DDPMs) are a very popular class of deep generative model that have been successfully applied to a diverse range of problems including image and video generation, protein and material synthesis, weather forecasting, and neural surrogates of partial differential equations. Despite their ubiquity it is hard to find an introduction to DDPMs which is simple, comprehensive, clean and clear. The compact explanations necessary in research papers are not able to elucidate all of the different design steps taken to formulate the DDPM and the rationale of the steps that are presented is often omitted to save space. Moreover, the expositions are typically presented from the variational lower bound perspective which is unnecessary and arguably harmful as it obfuscates why the method is working and suggests generalisations that do not perform well in practice. On the other hand, perspectives that take the continuous time-limit are beautiful and general, but they have a high barrier-to-entry as they require background knowledge of stochastic differential equations and probability flow. In this note, we distill down the formulation of the DDPM into six simple steps each of which comes with a clear rationale. We assume that the reader is familiar with fundamental topics in machine learning including basic probabilistic modelling, Gaussian distributions, maximum likelihood estimation, and deep learning.  ( 2 min )

This paper contains a recipe for deriving new PAC-Bayes generalisation bounds based on the $(f, \Gamma)$-divergence, and, in addition, presents PAC-Bayes generalisation bounds where we interpolate between a series of probability divergences (including but not limited to KL, Wasserstein, and total variation), making the best out of many worlds depending on the posterior distributions properties. We explore the tightness of these bounds and connect them to earlier results from statistical learning, which are specific cases. We also instantiate our bounds as training objectives, yielding non-trivial guarantees and practical performances.  ( 2 min )

Combining discrete and continuous data is an important capability for generative models. We present Discrete Flow Models (DFMs), a new flow-based model of discrete data that provides the missing link in enabling flow-based generative models to be applied to multimodal continuous and discrete data problems. Our key insight is that the discrete equivalent of continuous space flow matching can be realized using Continuous Time Markov Chains. DFMs benefit from a simple derivation that includes discrete diffusion models as a specific instance while allowing improved performance over existing diffusion-based approaches. We utilize our DFMs method to build a multimodal flow-based modeling framework. We apply this capability to the task of protein co-design, wherein we learn a model for jointly generating protein structure and sequence. Our approach achieves state-of-the-art co-design performance while allowing the same multimodal model to be used for flexible generation of the sequence or structure.  ( 2 min )

An extension of the Hawkes process, the Marked Hawkes process distinguishes itself by featuring variable jump size across each event, in contrast to the constant jump size observed in a Hawkes process without marks. While extensive literature has been dedicated to the non-parametric estimation of both the linear and non-linear Hawkes process, there remains a significant gap in the literature regarding the marked Hawkes process. In response to this, we propose a methodology for estimating the conditional intensity of the marked Hawkes process. We introduce two distinct models: \textit{Shallow Neural Hawkes with marks}- for Hawkes processes with excitatory kernels and \textit{Neural Network for Non-Linear Hawkes with Marks}- for non-linear Hawkes processes. Both these approaches take the past arrival times and their corresponding marks as the input to obtain the arrival intensity. This approach is entirely non-parametric, preserving the interpretability associated with the marked Hawkes process. To validate the efficacy of our method, we subject the method to synthetic datasets with known ground truth. Additionally, we apply our method to model cryptocurrency order book data, demonstrating its applicability to real-world scenarios.  ( 2 min )

\emph{Maximal ancestral graph} (MAGs) is a class of graphical model that extend the famous \emph{directed acyclic graph} in the presence of latent confounders. Most score-based approaches to learn the unknown MAG from empirical data rely on BIC score which suffers from instability and heavy computations. We propose to use the framework of imsets \citep{studeny2006probabilistic} to score MAGs using empirical entropy estimation and the newly proposed \emph{refined Markov property} \citep{hu2023towards}. Our graphical search procedure is similar to \citet{claassen2022greedy} but improved from our theoretical results. We show that our search algorithm is polynomial in number of nodes by restricting degree, maximal head size and number of discriminating paths. In simulated experiment, our algorithm shows superior performance compared to other state of art MAG learning algorithms.  ( 2 min )

Block Principal Component Analysis (Block PCA) of a data matrix A, where loadings Z are determined by maximization of AZ 2 over unit norm orthogonal loadings, is difficult to use for the design of sparse PCA by 1 regularization, due to the difficulty of taking care of both the orthogonality constraint on loadings and the non differentiable 1 penalty. Our objective in this paper is to relax the orthogonality constraint on loadings by introducing new objective functions expvar(Y) which measure the part of the variance of the data matrix A explained by correlated components Y = AZ. So we propose first a comprehensive study of mathematical and numerical properties of expvar(Y) for two existing definitions Zou et al. [2006], Shen and Huang [2008] and four new definitions. Then we show that only two of these explained variance are fit to use as objective function in block PCA formulations for A rid of orthogonality constraints.  ( 2 min )

We propose a novel ensemble method called Riemann-Lebesgue Forest (RLF) for regression. The core idea of RLF is to mimic the way how a measurable function can be approximated by partitioning its range into a few intervals. With this idea in mind, we develop a new tree learner named Riemann-Lebesgue Tree which has a chance to split the node from response $Y$ or a direction in feature space $\mathbf{X}$ at each non-terminal node. We generalize the asymptotic performance of RLF under different parameter settings mainly through Hoeffding decomposition \cite{Vaart} and Stein's method \cite{Chen2010NormalAB}. When the underlying function $Y=f(\mathbf{X})$ follows an additive regression model, RLF is consistent with the argument from \cite{Scornet2014ConsistencyOR}. The competitive performance of RLF against original random forest \cite{Breiman2001RandomF} is demonstrated by experiments in simulation data and real world datasets.  ( 2 min )

Most commonly used $f$-divergences of measures, e.g., the Kullback-Leibler divergence, are subject to limitations regarding the support of the involved measures. A remedy consists of regularizing the $f$-divergence by a squared maximum mean discrepancy (MMD) associated with a characteristic kernel $K$. In this paper, we use the so-called kernel mean embedding to show that the corresponding regularization can be rewritten as the Moreau envelope of some function in the reproducing kernel Hilbert space associated with $K$. Then, we exploit well-known results on Moreau envelopes in Hilbert spaces to prove properties of the MMD-regularized $f$-divergences and, in particular, their gradients. Subsequently, we use our findings to analyze Wasserstein gradient flows of MMD-regularized $f$-divergences. Finally, we consider Wasserstein gradient flows starting from empirical measures and provide proof-of-the-concept numerical examples with Tsallis-$\alpha$ divergences.  ( 2 min )

Kalman Filter (KF) is an optimal linear state prediction algorithm, with applications in fields as diverse as engineering, economics, robotics, and space exploration. Here, we develop an extension of the KF, called a Pathspace Kalman Filter (PKF) which allows us to a) dynamically track the uncertainties associated with the underlying data and prior knowledge, and b) take as input an entire trajectory and an underlying mechanistic model, and using a Bayesian methodology quantify the different sources of uncertainty. An application of this algorithm is to automatically detect temporal windows where the internal mechanistic model deviates from the data in a time-dependent manner. First, we provide theorems characterizing the convergence of the PKF algorithm. Then, we numerically demonstrate that the PKF outperforms conventional KF methods on a synthetic dataset lowering the mean-squared-error by several orders of magnitude. Finally, we apply this method to biological time-course dataset involving over 1.8 million gene expression measurements.  ( 2 min )

We study the optimal transport (OT) problem for measures supported on a graph metric space. Recently, Le et al. (2022) leverage the graph structure and propose a variant of OT, namely Sobolev transport (ST), which yields a closed-form expression for a fast computation. However, ST is essentially coupled with the $L^p$ geometric structure within its definition which makes it nontrivial to utilize ST for other prior structures. In contrast, the classic OT has the flexibility to adapt to various geometric structures by modifying the underlying cost function. An important instance is the Orlicz-Wasserstein (OW) which moves beyond the $L^p$ structure by leveraging the \emph{Orlicz geometric structure}. Comparing to the usage of standard $p$-order Wasserstein, OW remarkably helps to advance certain machine learning approaches. Nevertheless, OW brings up a new challenge on its computation due to its two-level optimization formulation. In this work, we leverage a specific class of convex functions for Orlicz structure to propose the generalized Sobolev transport (GST). GST encompasses the ST as its special case, and can be utilized for prior structures beyond the $L^p$ geometry. In connection with the OW, we show that one only needs to simply solve a univariate optimization problem to compute the GST, unlike the complex two-level optimization problem in OW. We empirically illustrate that GST is several-order faster than the OW. Moreover, we provide preliminary evidences on the advantages of GST for document classification and for several tasks in topological data analysis.  ( 2 min )

Multidimensional scaling (MDS) is the act of embedding proximity information about a set of $n$ objects in $d$-dimensional Euclidean space. As originally conceived by the psychometric community, MDS was concerned with embedding a fixed set of proximities associated with a fixed set of objects. Modern concerns, e.g., that arise in developing asymptotic theories for statistical inference on random graphs, more typically involve studying the limiting behavior of a sequence of proximities associated with an increasing set of objects. Standard results from the theory of point-to-set maps imply that, if $n$ is fixed, then the limit of the embedded structures is the embedded structure of the limiting proximities. But what if $n$ increases? It then becomes necessary to reformulate MDS so that the entire sequence of embedding problems can be viewed as a sequence of optimization problems in a fixed space. We present such a reformulation and derive some consequences.  ( 2 min )

We propose a comprehensive sample-based method for assessing the quality of generative models. The proposed approach enables the estimation of the probability that two sets of samples are drawn from the same distribution, providing a statistically rigorous method for assessing the performance of a single generative model or the comparison of multiple competing models trained on the same dataset. This comparison can be conducted by dividing the space into non-overlapping regions and comparing the number of data samples in each region. The method only requires samples from the generative model and the test data. It is capable of functioning directly on high-dimensional data, obviating the need for dimensionality reduction. Significantly, the proposed method does not depend on assumptions regarding the density of the true distribution, and it does not rely on training or fitting any auxiliary models. Instead, it focuses on approximating the integral of the density (probability mass) across various sub-regions within the data space.  ( 2 min )

Offline reinforcement learning (RL) aims to learn a policy that maximizes the expected cumulative reward using a pre-collected dataset. Offline RL with low-rank MDPs or general function approximation has been widely studied recently, but existing algorithms with sample complexity $O(\epsilon^{-2})$ for finding an $\epsilon$-optimal policy either require a uniform data coverage assumptions or are computationally inefficient. In this paper, we propose a primal dual algorithm for offline RL with low-rank MDPs in the discounted infinite-horizon setting. Our algorithm is the first computationally efficient algorithm in this setting that achieves sample complexity of $O(\epsilon^{-2})$ with partial data coverage assumption. This improves upon a recent work that requires $O(\epsilon^{-4})$ samples. Moreover, our algorithm extends the previous work to the offline constrained RL setting by supporting constraints on additional reward signals.  ( 2 min )

Hello, I have a paper and want to publish it, the proceedings dates already passed and I think the paper also may not be accepted at a proceeding because the results are applied to small datasets. So is it better to publish it in a q1 journal or a workshop for a top conference and also how to know if the workshop is good as they are many? The paper is very good so it can be accepted easily to a Q1 journal but I have already papers in Q1 journal, so I needed to know which is better for me to publish into? submitted by /u/Professional_Mud4298 [link] [comments]

Dear colleagues, Ever encountered an AI that cleverly outmaneuvered your experimental design, or revealed unexpected flaws in your reward functions? We (Aaron Dharna, Joel Lehman, Victoria Krakovna, and Jeff Clune) are writing a paper about how AI Finds A Way to surprise us. We're gathering such stories to expand our previous work The Surprising Creativity of Digital Evolution: https://arxiv.org/abs/1803.03453 to the deep learning setting, highlighting the importance of AI safety and the unpredictable nature of our work. We aim to record the true accounts of as many anecdotes as possible regarding AI (of any type, including RL, ML, etc.) surprising its creators and users. Therefore, your experiences are crucial for this endeavor. We hope you can help create a definitive account of these fascinating and sometimes ominous anecdotes so we can inform AI safety discussions, either by submitting and/or spreading the word of this Call for Anecdotes. By contributing, you'll help foster a deeper understanding within our community and beyond. Please send your anecdotes to aifindsaway@gmail.com by March 1st, 2024. Please feel free to share the following call far and wide: https://docs.google.com/document/d/1BhRWzkIYRUDjU5zon-ILXINPL4VqZp2JZXNsTjekBPk/edit?usp=sharing Let's illuminate the path forward together with insights from our collective research adventures. Cheers tl;dr Please submit (to aifindsaway@gmail.com) any stories you know of where AI acted in a way that surprised its creators, especially if it could be seen as unsafe (e.g. hacking a reward function, finding a loophole in an environment or experimental design, goal misgeneralization, etc.). submitted by /u/aadharna [link] [comments]

Hello Community, I have PC with Nvidia RTX 3080, and I want to start building models in TensorFlow and train on my GPU. Did anyone have hands-on TF on both Windows WSL 2 and Ubuntu? What are the pros and cons you experienced? Your experiences will help me decide if I should do a dual boot or stick with Windows 11. Thanks in advance. ​ submitted by /u/rock1ee_1 [link] [comments]

Sorry if this is off topic but I really need some advice. What do I need on my resume to get a ML engineer job will be a recent MS in AI/Robotics grad this June with 1.5-2 years of software engineering experience. I have no prior experience with machine learning apart from the courses and the projects I’ve done on those courses and a masters project that I am currently working on. What’s the best way to improve my resume or what did you do that helped you break into ML jobs. I’m so clueless atp as I don’t know anyone irl who work in ML I can go to for advice. Any help is hugely appreciated. submitted by /u/Theme_Spiritual [link] [comments]

With Gemini and LlamaIndex, the possibilities for AI-driven applications are truly limitless. In this article, we will implement a Multimodal use case basic example using Gemini Pro Vision and LlamaIndex Introduction to Gemini and LlamaIndex Artificial intelligence (AI) and large language models (LLMs) are at the forefront of innovation in today's rapidly evolving world. As the demand for smarter machines continues to grow, so does the need for AI models that can understand and interact with various types of information. Enter Gemini, one of the latest breakthroughs at Google DeepMind. Gemini is a cutting-edge AI model that seamlessly processes different data types, including text, code, audio, images, and video. This multimodal capability represents a significant step forward in creati…

The MoCo paper compares the performance after end-to-end pretraining (both queries and keys come from the online encoder), after the proper MoCo pretraining, and with a memory bank (only the query come from the online encoder, older queries come from older encoders). The end-to-end training gives the same accuracy of MoCo as a function of number of keys in queue / batch size, but batch size can't grow as large on common hardware. The memory bank training gives a lower accuracy and the authors say this confirms their hypothesis that the older keys are inconsistent with queries and new keys, but I don't get it! The accuracy grows with the same type of function of the queue length, as with the momentum encoder, and the more (and the older and supposedly less consistent) the keys, the better the accuracy, but just 2% points below. It had to get worse, or have proportionally lesser returns with the growth of the queue, to confirm the authors' hypothesis, right? Momentum is not convincing in this case, whereas in DINO it has a different interpretation and purpose that sounds right (and performance is way better apparently) submitted by /u/reverendCappuccino [link] [comments]

Perhaps my (re)searching skills are not the best, but I couldn't find any papers tackling fine-art painting classification as a few-shot problem. Is it because it does not make sense to do so? Am I missing something? I just started looking into few-shot learning, and, from what I understand, it seems like this is a good case scenario to use it. submitted by /u/hellounderweinewr [link] [comments]

Hi everyone! We just published part 2 of our series focusing on improving LLM security against prompt injection. In this release, we’re doing a deeper dive into transformers, attention, and how these topics play a role in prompt injection attacks. This post aims to provide more under-the-hood context about why prompt injection attacks are effective, and why they’re so difficult to mitigate. Improving LLM Security Against Prompt Injection: AppSec Guidance For Pentesters and Developers – Part 2 submitted by /u/IncludeSec [link] [comments]

Abstract: Starting around 6 to 9 months of age, children begin acquiring their first words, linking spoken words to their visual counterparts. How much of this knowledge is learnable from sensory input with relatively generic learning mechanisms, and how much requires stronger inductive biases? Using longitudinal head-mounted camera recordings from one child aged 6 to 25 months, we trained a relatively generic neural network on 61 hours of correlated visual-linguistic data streams, learning feature-based representations and cross-modal associations. Our model acquires many word-referent mappings present in the child’s everyday experience, enables zero-shot generalization to new visual referents, and aligns its visual and linguistic conceptual systems. These results show how critical aspects of grounded word meaning are learnable through joint representation and associative learning from one child’s input. Paper (paywalled): https://www.science.org/doi/10.1126/science.adi1374 Paper (unpaywalled): https://www.reddit.com/r/Scholar/comments/1ajq8g7/comment/kp47j9y/ submitted by /u/StartledWatermelon [link] [comments]

we see tons of works in LLM-based agent which can perform tasks on web applications such as webshop, webarena, agentbenchetc... also, we can find following works on reflexion-based agent which intakes the feedbacks and errors from previous trials from the interactions with the environment. the typical work is Reflexion: Language Agents with Verbal Reinforcement Learning within each trial, the agent, or say, llm, digests the prompt which contains not only history from current trial but also the system info or feedbacks or error messages from previous trials. The feedbacks could come from system setting or from another more powerful LLM that can act as a super judge to give feedbacks. anyway, I do not think this is RL since there is no learning process for the agent, but a concat of prompt. My primary concern is that is this label leakage ? The agent get feedbacks from the environment and with more trials, of course, the agent should have a more clear approach to the final answer. So what is the point ? I see a post which shares my same concern: noahshinn/reflexion: [NeurIPS 2023] Reflexion: Language Agents with Verbal Reinforcement Learning (github.com) ​ Would like to hear from you in view of academic and industry. ​ ​ ​ ​ submitted by /u/yanancc [link] [comments]

Title: Long Is More for Alignment: A Simple but Tough-to-Beat Baseline for Instruction Fine-Tuning Paper: https://arxiv.org/abs/2402.04833 Abstract: There is a consensus that instruction fine-tuning of LLMs requires high-quality data, but what are they? LIMA (NeurIPS 2023) and AlpaGasus (ICLR 2024) are state-of-the-art methods for selecting such high-quality examples, either via manual curation or using GPT-3.5-Turbo as a quality scorer. We show that the extremely simple baseline of selecting the 1,000 instructions with longest responses from standard datasets can consistently outperform these sophisticated methods according to GPT-4 and PaLM-2 as judges, while remaining competitive on the OpenLLM benchmarks that test factual knowledge. We demonstrate this for several state-of-the-art LLMs (Llama-2-7B, Llama-2-13B, and Mistral-7B) and datasets (Alpaca-52k and Evol-Instruct-70k). In addition, a lightweight refinement of such long instructions can further improve the abilities of the fine-tuned LLMs, and allows us to obtain the 2nd highest-ranked Llama-2-7B-based model on AlpacaEval 2.0 while training on only 1,000 examples and no extra preference data. We also conduct a thorough analysis of our models to ensure that their enhanced performance is not simply due to GPT-4's preference for longer responses, thus ruling out any artificial improvement. In conclusion, our findings suggest that fine-tuning on the longest instructions should be the default baseline for any research on instruction fine-tuning. submitted by /u/m_andriushchenko [link] [comments]

Hi all, I was recently working on an ML project for my university thesis and ran into the issue of having to manage multiple different models. I was mainly doing everything through colab, but I had to switch between multiple tabs because I was running out of RAM and each model had different package requirements. The whole thing was a complete mess, took me forever to get to my own model dev. Was wondering if others have encountered similar issues / if there are existing solutions for something like this Thanks submitted by /u/Fun_Win_6054 [link] [comments]

I was looking at training a diffusion model using RLHF, and was looking at this paper kvablack/ddpo-pytorch: DDPO for finetuning diffusion models, implemented in PyTorch with LoRA support (github.com), but the code itself just seems to be backpropagating the unet based on a fancy(and differentiable at first glance!) loss function. What distinguishes reinforcement learning from just normal model training? Are the two the same and is it merely a matter of terminology? Copying the relevant code here? for i, sample in tqdm( list(enumerate(samples_batched)), desc=f"Epoch {epoch}.{inner_epoch}: training", position=0, disable=not accelerator.is_local_main_process, ): if config.train.cfg: # concat negative prompts to sample prompts to avoid two forward passes embeds = torch.cat( [train_neg_prom…

https://arxiv.org/abs/2401.01836 I came across this paper where NODEC is implemented for optimal control of unknown dynamical system and I was wondering what other approaches we can use for similar problems. I am aware of Reinforcement Learning but I am looking for something more data eficient. Is representation learning or Imitation learning possible? Or any other way to improve the result? submitted by /u/Striking-Cricket788 [link] [comments]

I'm halfway through my ML PhD. I was quite lucky and got into a good program, especially in a good lab where students are superstars and get fancy jobs upon graduation. I'm not one of them. I have one crappy, not-so-technical publication and I'm struggling to find a new problem that is solvable within my capacity. I've tried hard. I've been doing research throughout my undergrad and masters, doing everything I could – doing projects, reading papers, taking ML and math courses, writing grants for professors... The thing is, I just can't reach the level of generating new ideas. No matter how hard I try, it just ain't my thing. I think why. I begin to wonder if STEM wasn't my thing in the first place. I look around and there are people whose brain simply "gets" things easier. For me, it requires extra hard working and extra time. During undergrad, I could get away with studying harder and longer. Well, not for PhD. Especially not in this fast-paced, crowded field where I need to take in new stuff and publish quickly. I'm an imposter, and this is not a syndrome. I'm getting busted. Everybody else is getting multiple internship offers and all that. I'm getting rejected from everywhere. It seems now they know. They know I'm useless. Would like to say this to my advisor but he's such a genius that he doesn't get the mind of the commoner. All my senior labmates are full-time employed, so practically I'm the most senior in my lab right now. submitted by /u/rsfhuose [link] [comments]

A curated reading list for the adversarial perspective in deep reinforcement learning. https://github.com/EzgiKorkmaz/adversarial-reinforcement-learning submitted by /u/ml_dnn [link] [comments]

submitted by /u/Elven77AI [link] [comments]

https://preview.redd.it/6tguxx3v1dhc1.png?width=1178&format=png&auto=webp&s=4f1b7b9a25d3a9b2738ad945e8beb1347cb93447 💻 Today Google is launching Gemini Advanced — a new experience that gives you access to Ultra 1.0, their largest and most capable state-of-the-art AI model. In blind evaluations with third-party raters, Gemini Advanced with Ultra 1.0 is now the most preferred chatbot compared to leading alternatives. 🚀 With Google's Ultra 1.0 model, Gemini Advanced is far more capable at highly complex tasks like coding, logical reasoning, following nuanced instructions, and collaborating on creative projects. 🤖 Gemini Advanced not only allows users to have longer, more detailed conversations; it also better understands the context from previous prompts. For example: 💡 Gemini Advanc…

I have a multi-class problem where the label vector can be like [ 0, 1, 0, 0, 1] , as in multiple classes can be true at the same time. What kind of loss function should i used, as in pytorch Crossentropy you can only pass only 1 correct column as target. First thing that came into my mind was convert the target vector in a probability distribution like [0, 0.5, 0, 0, 0.5] and apply KLDivergence Loss. Will this workout or is there any way we can pass multicorrect labels into pytorch cross entropy submitted by /u/Severe_Difficulty_32 [link] [comments]

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submitted by /u/hardmaru [link] [comments]

I’ve read a lot of things saying “don’t do a PhD unless you are absolutely certain you want to”, but I am uncertain. My motives are mainly for it to open more doors in industry. I want to become a research scientist/ML engineer/data science or even quant roles but these roles are increasingly harder to get without advanced degrees. I should mention my undergrad degree is NOT in CS, although I have research experience in ML and have taken a few math/stats courses (linear alg, stats, probability, calc). My question is: 1) Is the opportunity cost of 4-6 years of an ML PhD (as opposed to starting out in lower entry job roles like data analytics and working upwards from there) worth it to open more doors in industry? 2) How likely am I able to get a research scientist position without a PhD? 3) I may also want to eventually pivot to startups (perhaps after industry or immiediately). In this case ik a PhD won’t help much. But taking everything into account (the fact that I am uncertain of what I will do and want), can a PhD be a route to figure out what I want meanwhile? I get the feeling that PhD isnt worth it for just DS/MLE or even quant roles. Tho not even mentioning research scientist, the chances of me even landing one of those roles are hard with a bachelors nowadays. I applied to tons of data science jobs and no response -- which is why i was thinking a PhD may finally grab some attention. submitted by /u/Character-Capital-70 [link] [comments]

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I have a debate in British parliamentary format in a few days and it discusses artificial intelligence, specifically AI art. Here is my argument It is quite obvious that artificial intelligence is integrating rapidly into human life. This includes the art industry, a representation of the times we live in through vivid illustration. AI art is not only real art, it is art that showcases our innovation as a society and we must not abandon it or regret its spread accross mainstream media. The opposing side believes insert points the opposing side made. However, they are gravely mistaken. Insert rebuttals here Moreover, I shall now proceed to elaborate extensively on the intrinsic value found within art generated by Artificial Intelligence. To prove this, let's say if art gains value from …

submitted by /u/PrincessPandaReddit [link] [comments]

Hello. I found Kits (I've heard of RVC but I think my computer is a bit outdated to run it well), but I need a vocal model. I can't figure out how to make one. I get what cloning is and I have some really clean vocal samples (speaking not singing. I want to make them sing, like how people are taking all kinds of voices from shows and such and making them sing even if they don't have samples of the character singing) but I don't know how to make them into a model for Kits or other programs/sites to use. I also already have songs with isolated vocals and music to fix in audacity, I just need to know how to make an AI vocal model in zip format so that I can add it to Kits. Every tutorial I see covers what to use once you have that model but not how to make the model itself with a 10 minute or 30 minute sample. Also free sites/programs (like a starter that allows you to test) recommendations please if at all possible. I don't mind paying if it's good, but I want to be able to try a model or two before that. submitted by /u/Vast_Description_206 [link] [comments]

There's a lot of talk about governments throughout the world building their own ais primarily for the purpose of national security. among these are the governments of the u.s., china, india, the u.k. and france. it's said that this is why pausing or halting ai development is not a viable option. no country can afford to be left behind. government ais, however, perhaps with the exception of countries like china that maintain very close ties with private businesses, will for the most part be involved in security matters that have a little impact on the everyday lives of the citizens of those countries. at least in times of peace. the same cannot, however, be said for ais developed expressly for the private citizens and businesses of these countries. this is where the main battles of the ai arms race will be waged imagine, for example, if business interests in china were first in the world to develop an agi that was so successful at picking stocks that they were able to corner the world's financial markets. that success would soon after result in massive transfers of wealth from all other countries to china. such transfers would improve the quality of life in china, and reduce it in every other country. such transfers could become so substantial that the global community begin to consider creating a new system of wealth allocation between the countries of the world. because of such a prospect, it is in everyone's interest everywhere to neither pause nor halt ai development, but rather to move on it full speed ahead. submitted by /u/Georgeo57 [link] [comments]

Managing Pinecone DB deployments is a thing of the past!!! 💃 🥇Some noteworthy features 🥇 Handles CRUDs for both Pod and Serverless Spec indexes Deploy multiple indexes at the same time with isolated state management Adheres to AWS-defined removal policies (DESTROY, SNAPSHOT, etc.) Creates stack-scoped index names, to avoid name collisions 🙌 It's still in beta, so feedback is more than welcome! 🫶 Github PyPi NPM submitted by /u/Johnluhot [link] [comments]

Geniusrise is a framework for building AI applications. Currently, it supports amost all open source text and audio models, vision and multi-modal are on the way. It also comes with an ecosystem of components - e.g. hosting inference APIs fine-tuning bulk inference hosting notebooks The CLI can be used to host models on local or package and deploy to kubernetes. The CLI tries to wrap around all operations of the components, as is both a framework for building and a AI/ML-Ops tool for managing the components. Code: https://github.com/geniusrise Docs: https://docs.geniusrise.ai Examples: https://github.com/geniusrise/examples Some feedback will go a long way. Thanks for reading! submitted by /u/dataxaar [link] [comments]

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submitted by /u/vinaylovestotravel [link] [comments]

OpenAI’s image generator DALL-E 3 to add watermarks to images.[1] Ikea’s AI assistant gives design inspiration — at least it tries to.[2] Popular AI models were put into a war games scenario, and GPT-3.5 and Llama 2 went nuclear.[3] Microsoft partners with India’s Sarvam AI for voice-based genAI tools.[4] Sources: [1] https://readwrite.com/openais-image-generator-dall-e-3-to-add-watermarks-to-images/ [2] https://www.theverge.com/2024/2/6/24063626/ikea-ai-assistant-gpt-chatbot-home-design [3] https://www.tweaktown.com/news/96081/popular-ai-models-were-put-into-war-games-scenario-and-gpt-3-5-llama-2-went-nuclear/index.html [4] https://www.channelnewsasia.com/business/microsoft-partners-indias-sarvam-ai-voice-based-genai-tools-4109501 submitted by /u/Excellent-Target-847 [link] [comments]

I would like to start off with I know the bare minimum when it comes to coding. I'm pretty good with computers in general and have always been able to do something with enough googling. I recently read an article about Samsung that talked about a fridge that they had at CES that used cameras to identify 33 food items and track what they are, nutritional information, spoil time, and stock. I have been pretty hands off with AI while keeping up with all of the newest improvements so once I saw that it was going to have only 33 food items and also be set up to be used in the samsung environment I wondered "can I do better?" So I booted up my laptop, downloaded vscode, python, and launched chat gpt. I figured that I could at the least bit learn something about python if nothing else. Well in…

So basically I’m guessing you will find videos with this color in it represented in all ways like clothing, the ground, and just anything in the picture. But why is it taking so long and why is it just a color? How long until we get vibes that actually accurately vibe those vibes. submitted by /u/WebexBlack [link] [comments]

NVIDIA has joined the National Institute of Standards and Technology’s new U.S. Artificial Intelligence Safety Institute Consortium as part of the company’s effort to advance safe, secure and trustworthy AI. AISIC will work to create tools, methodologies and standards to promote the safe and trustworthy development and deployment of AI. As a member, NVIDIA will Read Article  ( 5 min )

The GeForce NOW anniversary celebrations continue with more games and a member-exclusive discount on the Logitech G Cloud. Among the six new titles coming to the cloud this week is The Inquisitor from Kalypso Media, which spotlights the GeForce NOW anniversary with a special shout-out. “Congrats to four years of empowering gamers to play anywhere, Read Article  ( 6 min )

Hello everyone, Currently dealing with a dataset only containing numerical features. The idea here is to predict house prices across different districts in the US. Most the information that I have is in numeric format. My issue with the data comes with the target variable the price column that ranges from 75000 until more or less 77700000 when the other variables only range from 0 to 1000. When looking up papers most mention that there is no reason to scale the target as there is no benefit in doing so. Issue is when I train the model a neural net in this case I get something like this: Epoch 1/100 139/139 [==============================] - 1s 3ms/step - loss: 425583738880.0000 - mse: 425583738880.0000 - val_loss: 398226030592.0000 - val_mse: 398225965056.0000 Epoch 2/100 139/139 [==============================] - 0s 2ms/step - loss: 425583509504.0000 - mse: 425583509504.0000 - val_loss: 398225899520.0000 - val_mse: 398225899520.0000 Measure Train Test 0 MSE 4.201119e+11 4.532716e+11 1 MAE 5.378588e+05 5.494696e+05 2 R-squared -2.211378e+00 -1.994764e+00 My idea would be does something like this make sense? scaler = StandardScaler() X_train = scaler.fit_transform(X_train) X_test = scaler.transform(X_test) y_train = scaler.fit_transform(y_train.values.reshape(-1, 1)) y_test = scaler.transform(y_test.values.reshape(-1, 1)) What would be the best approach for this scenario? What would I do with the target variable? Thank you submitted by /u/Minute-Fix-1493 [link] [comments]

Nonprofit fundraising tools can be excellent resources for assisting organizations in maintaining compliance. However, anyone considering these platforms should know a few things to stay on the right track and avoid issues.  Organizations must protect donors’ privacy When a nonprofit’s staff members know details about donors’ sexual orientation, income, race, age and ethnicity, it’s easier… Read More »What nonprofits need to know about compliance for fundraising software The post What nonprofits need to know about compliance for fundraising software appeared first on Data Science Central.  ( 21 min )

When you add a comment to a LaTeX file, it makes no visible change to the output. The comment is ignored as far as the appearance of the file. But is that comment somehow included in the file anyway? If you compile a LaTeX file to PDF, then edit it by throwing in a comment, […] Do comments in a LaTeX file change the output? first appeared on John D. Cook.  ( 6 min )

When you create a PDF file, what you see is not all you get. There is metadata embedded in the file that might be useful. It also might reveal information you’d rather not reveal. The previous post looked at just the time stamp on a file. This post will look at more metadata, focusing on […] Your PDF may reveal more than you intend first appeared on John D. Cook.  ( 6 min )

If you save a file as a PDF twice, you won’t get exactly the same file both times. To illustrate this, I created an LibreOffice document containing “Hello world.” and saved it twice, first as humpty.pdf then as dumpty.pdf. Then I compared the two files. % diff humpty.pdf dumpty.pdf Binary files humpty.pdf and dumpty.pdf differ […] If you save a file as PDF twice, you get two different files first appeared on John D. Cook.  ( 6 min )

Generative AI agents are a versatile and powerful tool for large enterprises. They can enhance operational efficiency, customer service, and decision-making while reducing costs and enabling innovation. These agents excel at automating a wide range of routine and repetitive tasks, such as data entry, customer support inquiries, and content generation. Moreover, they can orchestrate complex, […]  ( 19 min )

https://arxiv.org/abs/2401.01836 I came across this paper where NODEC is implemented for optimal control of unknown dynamical system and I was wondering what other approaches we can use for similar problems. I am aware of Reinforcement Learning but I am looking for something more data eficient. Is representation learning or Imitation learning possible? Or any other way to improve the result? submitted by /u/Striking-Cricket788 [link] [comments]

I started a PhD 3 months ago about RL/IL and I wanted to know what are the must-know algorithms to not be limited by my lack of knowledge. Of course I could learn them all, but there are too many and I'm note sure if that's useful. Currently I already know the mechanisms and equations of Q learning, SARSA, DQN and PPO. What would you advise next? submitted by /u/Ybrik410 [link] [comments]

Hello, I am a graduate student who is interested in the field of continual RL. I wanted to get information about various papers about this field so I created an awesome repository. Please feel free to give me any advices!! ​ https://github.com/windust7/awesome-continual-reinforcment-learning submitted by /u/Mission-Lawyer1787 [link] [comments]

I've been trying to make a DQN to tackle tic-tac-toe. I was successful, so I am trying to improve it by adding prioritized experience replay. Before getting to the actual PER, I just wanted to start doing the random sampling myself. Previously, I let TensorFlow do the sampling by the following code: history = self.brain.fit(state_arr, qValueEstimates, batch_size=self.trainingBatchSize, verbose=0) For clarity: state_arr is MxS, where S is the size of the 1D shape array, and M is the size of the experience replay. qValueEstimates is MxA, where A is the size of the 1D action array. ​ When I change the code to this: population = range(M) sampleIndices = random.sample(population, self.trainingBatchSize) history = self.brain.fit(state_arr[sampleIndices], qValueEstimates[sampleIndices], batch_size=self.trainingBatchSize, verbose=0) This runs, but the algorithm no longer learns. Is the python library not random enough? I am lost on what could be the issue here. submitted by /u/Garjiglio [link] [comments]

I was looking at the efficient zero implementation and I notice that their dynamics network compresses the input by one channel through conv layers However they then add the original x in an residual/identity operation but without the last channel I was wondering why this is? Edit: digging further it seems they append the action to the state so they remove the action before the cnn to have an identity state value submitted by /u/proturtle46 [link] [comments]

The key challenge in the noisy intermediate-scale quantum era is finding useful circuits compatible with current device limitations. Variational quantum algorithms (VQAs) offer a potential solution by fixing the circuit architecture and optimizing individual gate parameters in an external loop. However, parameter optimization can become intractable, and the overall performance of the algorithm depends heavily on the initially chosen circuit architecture. Several quantum architecture search (QAS) algorithms have been developed to design useful circuit architectures automatically. In the case of parameter optimization alone, noise effects have been observed to dramatically influence the performance of the optimizer and final outcomes, which is a key line of study. However, the effects of noise on the architecture search, which could be just as critical, are poorly understood. This work addresses this gap by introducing a curriculum-based reinforcement learning QAS (CRLQAS) algorithm designed to tackle challenges in realistic VQA deployment. The algorithm incorporates (i) a 3D architecture encoding and restrictions on environment dynamics to explore the search space of possible circuits efficiently, (ii) an episode halting scheme to steer the agent to find shorter circuits, and (iii) a novel variant of simultaneous perturbation stochastic approximation as an optimizer for faster convergence. To facilitate studies, we developed an optimized simulator for our algorithm, significantly improving computational efficiency in simulating noisy quantum circuits by employing the Pauli-transfer matrix formalism in the Pauli-Liouville basis. Numerical experiments focusing on quantum chemistry tasks demonstrate that CRLQAS outperforms existing QAS algorithms across several metrics in both noiseless and noisy environments.  ( 3 min )

Deep probabilistic time series forecasting has gained attention for its superior performance in nonlinear approximation and its capability to offer valuable uncertainty quantification for decision-making. However, existing models often oversimplify the problem by assuming a time-independent error process, overlooking serial correlation. To overcome this limitation, we propose an innovative training method that incorporates error autocorrelation to enhance probabilistic forecasting accuracy. Our method constructs a mini-batch as a collection of $D$ consecutive time series segments for model training. It explicitly learns a time-varying covariance matrix over each mini-batch, encoding error correlation among adjacent time steps. The learned covariance matrix can be used to improve prediction accuracy and enhance uncertainty quantification. We evaluate our method on two different neural forecasting models and multiple public datasets. Experimental results confirm the effectiveness of the proposed approach in improving the performance of both models across a range of datasets, resulting in notable improvements in predictive accuracy.  ( 2 min )

Low-rank adaptation (LoRA) has emerged as a new paradigm for cost-efficient fine-tuning of large language models (LLMs). However, fine-tuned LLMs often become overconfident especially when fine-tuned on small datasets. Bayesian methods, with their inherent ability to estimate uncertainty, serve as potent tools to mitigate overconfidence and enhance calibration. In this work, we introduce Laplace-LoRA, which applies a Bayesian approach to the LoRA parameters. Specifically, Laplace-LoRA applies a Laplace approximation to the posterior over the LoRA parameters, considerably improving the calibration of fine-tuned LLMs.  ( 2 min )

Exploring the application of large language models (LLMs) to graph learning is a emerging endeavor. However, the vast amount of information inherent in large graphs poses significant challenges to this process. This work focuses on the link prediction task and introduces $\textbf{LPNL}$ (Link Prediction via Natural Language), a framework based on large language models designed for scalable link prediction on large-scale heterogeneous graphs. We design novel prompts for link prediction that articulate graph details in natural language. We propose a two-stage sampling pipeline to extract crucial information from the graphs, and a divide-and-conquer strategy to control the input tokens within predefined limits, addressing the challenge of overwhelming information. We fine-tune a T5 model based on our self-supervised learning designed for link prediction. Extensive experimental results demonstrate that LPNL outperforms multiple advanced baselines in link prediction tasks on large-scale graphs.  ( 2 min )

We explore the critical data size in language models, a threshold that marks a fundamental shift from quick memorization to slow generalization. We formalize the phase transition under the grokking configuration into the Data Efficiency Hypothesis and identify data insufficiency, sufficiency, and surplus regimes in language models training dynamics. We develop a grokking configuration to reproduce grokking on simplistic language models stably by rescaling initialization and weight decay. We show that generalization occurs only when language models reach a critical size. We analyze grokking across sample-wise and model-wise, verifying the proposed data efficiency hypothesis. Our experiments reveal smoother phase transitions occurring at the critical dataset size for language datasets. As the model size increases, this critical point also becomes larger, indicating that larger models require more data. Our results deepen the understanding of language model training, offering a novel perspective on the role of data in the learning mechanism of language models.  ( 2 min )

Neural ordinary differential equations (neural ODEs) have emerged as a natural tool for supervised learning from a control perspective, yet a complete understanding of their optimal architecture remains elusive. In this work, we examine the interplay between their width $p$ and number of layer transitions $L$ (effectively the depth $L+1$). Specifically, we assess the model expressivity in terms of its capacity to interpolate either a finite dataset $D$ comprising $N$ pairs of points or two probability measures in $\mathbb{R}^d$ within a Wasserstein error margin $\varepsilon>0$. Our findings reveal a balancing trade-off between $p$ and $L$, with $L$ scaling as $O(1+N/p)$ for dataset interpolation, and $L=O\left(1+(p\varepsilon^d)^{-1}\right)$ for measure interpolation. In the autonomous case, where $L=0$, a separate study is required, which we undertake focusing on dataset interpolation. We address the relaxed problem of $\varepsilon$-approximate controllability and establish an error decay of $\varepsilon\sim O(\log(p)p^{-1/d})$. This decay rate is a consequence of applying a universal approximation theorem to a custom-built Lipschitz vector field that interpolates $D$. In the high-dimensional setting, we further demonstrate that $p=O(N)$ neurons are likely sufficient to achieve exact control.  ( 2 min )

We introduce a new mean-field ODE and corresponding interacting particle systems (IPS) for sampling from an unnormalized target density. The IPS are gradient-free, available in closed form, and only require the ability to sample from a reference density and compute the (unnormalized) target-to-reference density ratio. The mean-field ODE is obtained by solving a Poisson equation for a velocity field that transports samples along the geometric mixture of the two densities, which is the path of a particular Fisher-Rao gradient flow. We employ a RKHS ansatz for the velocity field, which makes the Poisson equation tractable and enables discretization of the resulting mean-field ODE over finite samples. The mean-field ODE can be additionally be derived from a discrete-time perspective as the limit of successive linearizations of the Monge-Amp\`ere equations within a framework known as sample-driven optimal transport. We introduce a stochastic variant of our approach and demonstrate empirically that our IPS can produce high-quality samples from varied target distributions, outperforming comparable gradient-free particle systems and competitive with gradient-based alternatives.  ( 2 min )

Pandemics, notably the recent COVID-19 outbreak, have impacted both public health and the global economy. A profound understanding of disease progression and efficient response strategies is thus needed to prepare for potential future outbreaks. In this paper, we emphasize the potential of Agent-Based Models (ABM) in capturing complex infection dynamics and understanding the impact of interventions. We simulate realistic pharmaceutical, behavioral, and digital interventions that mirror challenges in real-world policy adoption and suggest a holistic combination of these interventions for pandemic response. Using these simulations, we study the trends of emergent behavior on a large-scale population based on real-world socio-demographic and geo-census data from Kings County in Washington. Our analysis reveals the pivotal role of the initial 100 days in dictating a pandemic's course, emphasizing the importance of quick decision-making and efficient policy development. Further, we highlight that investing in behavioral and digital interventions can reduce the burden on pharmaceutical interventions by reducing the total number of infections and hospitalizations, and by delaying the pandemic's peak. We also infer that allocating the same amount of dollars towards extensive testing with contact tracing and self-quarantine offers greater cost efficiency compared to spending the entire budget on vaccinations.  ( 3 min )

We introduce a new PAC-Bayes oracle bound for unbounded losses. This result can be understood as a PAC-Bayesian version of the Cram\'er-Chernoff bound. The proof technique relies on controlling the tails of certain random variables involving the Cram\'er transform of the loss. We highlight several applications of the main theorem. First, we show that our result naturally allows exact optimization of the free parameter on many PAC-Bayes bounds. Second, we recover and generalize previous results. Finally, we show that our approach allows working with richer assumptions that result in more informative and potentially tighter bounds. In this direction, we provide a general bound under a new ``model-dependent bounded CGF" assumption from which we obtain bounds based on parameter norms and log-Sobolev inequalities. All these bounds can be minimized to obtain novel posteriors.  ( 2 min )

Diffusion Models (DMs) have disrupted the image Super-Resolution (SR) field and further closed the gap between image quality and human perceptual preferences. They are easy to train and can produce very high-quality samples that exceed the realism of those produced by previous generative methods. Despite their promising results, they also come with new challenges that need further research: high computational demands, comparability, lack of explainability, color shifts, and more. Unfortunately, entry into this field is overwhelming because of the abundance of publications. To address this, we provide a unified recount of the theoretical foundations underlying DMs applied to image SR and offer a detailed analysis that underscores the unique characteristics and methodologies within this domain, distinct from broader existing reviews in the field. This survey articulates a cohesive understanding of DM principles and explores current research avenues, including alternative input domains, conditioning techniques, guidance mechanisms, corruption spaces, and zero-shot learning approaches. By offering a detailed examination of the evolution and current trends in image SR through the lens of DMs, this survey sheds light on the existing challenges and charts potential future directions, aiming to inspire further innovation in this rapidly advancing area.  ( 2 min )

Model extraction is a growing concern for the security of AI systems. For deep neural network models, the architecture is the most important information an adversary aims to recover. Being a sequence of repeated computation blocks, neural network models deployed on edge-devices will generate distinctive side-channel leakages. The latter can be exploited to extract critical information when targeted platforms are physically accessible. By combining theoretical knowledge about deep learning practices and analysis of a widespread implementation library (ARM CMSIS-NN), our purpose is to answer this critical question: how far can we extract architecture information by simply examining an EM side-channel trace? For the first time, we propose an extraction methodology for traditional MLP and CNN models running on a high-end 32-bit microcontroller (Cortex-M7) that relies only on simple pattern recognition analysis. Despite few challenging cases, we claim that, contrary to parameters extraction, the complexity of the attack is relatively low and we highlight the urgent need for practicable protections that could fit the strong memory and latency requirements of such platforms.  ( 2 min )

The challenge in biomarker discovery using machine learning from omics data lies in the abundance of molecular features but scarcity of samples. Most feature selection methods in machine learning require evaluating various sets of features (models) to determine the most effective combination. This process, typically conducted using a validation dataset, involves testing different feature sets to optimize the model's performance. Evaluations have performance estimation error and when the selection involves many models the best ones are almost certainly overestimated. Biomarker identification with feature selection methods can be addressed as a multi-objective problem with trade-offs between predictive ability and parsimony in the number of features. Genetic algorithms are a popular tool for multi-objective optimization but they evolve numerous solutions thus are prone to overestimation. Methods have been proposed to reduce the overestimation after a model has already been selected in single-objective problems, but no algorithm existed capable of reducing the overestimation during the optimization, improving model selection, or applied in the more general multi-objective domain. We propose DOSA-MO, a novel multi-objective optimization wrapper algorithm that learns how the original estimation, its variance, and the feature set size of the solutions predict the overestimation. DOSA-MO adjusts the expectation of the performance during the optimization, improving the composition of the solution set. We verify that DOSA-MO improves the performance of a state-of-the-art genetic algorithm on left-out or external sample sets, when predicting cancer subtypes and/or patient overall survival, using three transcriptomics datasets for kidney and breast cancer.  ( 3 min )

Objectives: Leveraging artificial intelligence (AI) in conjunction with electronic health records (EHRs) holds transformative potential to improve healthcare. Yet, addressing bias in AI, which risks worsening healthcare disparities, cannot be overlooked. This study reviews methods to detect and mitigate diverse forms of bias in AI models developed using EHR data. Methods: We conducted a systematic review following the Preferred Reporting Items for Systematic Reviews and Meta-analyses (PRISMA) guidelines, analyzing articles from PubMed, Web of Science, and IEEE published between January 1, 2010, and Dec 17, 2023. The review identified key biases, outlined strategies for detecting and mitigating bias throughout the AI model development process, and analyzed metrics for bias assessment. Results: Of the 450 articles retrieved, 20 met our criteria, revealing six major bias types: algorithmic, confounding, implicit, measurement, selection, and temporal. The AI models were primarily developed for predictive tasks in healthcare settings. Four studies concentrated on the detection of implicit and algorithmic biases employing fairness metrics like statistical parity, equal opportunity, and predictive equity. Sixty proposed various strategies for mitigating biases, especially targeting implicit and selection biases. These strategies, evaluated through both performance (e.g., accuracy, AUROC) and fairness metrics, predominantly involved data collection and preprocessing techniques like resampling, reweighting, and transformation. Discussion: This review highlights the varied and evolving nature of strategies to address bias in EHR-based AI models, emphasizing the urgent needs for the establishment of standardized, generalizable, and interpretable methodologies to foster the creation of ethical AI systems that promote fairness and equity in healthcare.  ( 3 min )

Large language models (LLMs) are trained on vast amounts of text from the internet, which contains both factual and misleading information about the world. While unintuitive from a classic view of LMs, recent work has shown that the truth value of a statement can be elicited from the model's representations. This paper presents an explanation for why LMs appear to know the truth despite not being trained with truth labels. We hypothesize that the pretraining data is generated by groups of (un)truthful agents whose outputs share common features, and they form a (un)truthful persona. By training on this data, LMs can infer and represent the persona in its activation space. This allows the model to separate truth from falsehoods and controls the truthfulness of its generation. We show evidence for the persona hypothesis via two observations: (1) we can probe whether a model's answer will be truthful before it is generated; (2) finetuning a model on a set of facts improves its truthfulness on unseen topics. Next, using arithmetics as a synthetic environment, we show that structures of the pretraining data are crucial for the model to infer the truthful persona. Overall, our findings suggest that models can exploit hierarchical structures in the data to learn abstract concepts like truthfulness.  ( 3 min )

In this study, we delve into the problem of self-supervised learning (SSL) utilizing the 1-Wasserstein distance on a tree structure (a.k.a., Tree-Wasserstein distance (TWD)), where TWD is defined as the L1 distance between two tree-embedded vectors. In SSL methods, the cosine similarity is often utilized as an objective function; however, it has not been well studied when utilizing the Wasserstein distance. Training the Wasserstein distance is numerically challenging. Thus, this study empirically investigates a strategy for optimizing the SSL with the Wasserstein distance and finds a stable training procedure. More specifically, we evaluate the combination of two types of TWD (total variation and ClusterTree) and several probability models, including the softmax function, the ArcFace probability model, and simplicial embedding. We propose a simple yet effective Jeffrey divergence-based regularization method to stabilize optimization. Through empirical experiments on STL10, CIFAR10, CIFAR100, and SVHN, we find that a simple combination of the softmax function and TWD can obtain significantly lower results than the standard SimCLR. Moreover, a simple combination of TWD and SimSiam fails to train the model. We find that the model performance depends on the combination of TWD and probability model, and that the Jeffrey divergence regularization helps in model training. Finally, we show that the appropriate combination of the TWD and probability model outperforms cosine similarity-based representation learning.  ( 3 min )

Data-parallel SGD is the de facto algorithm for distributed optimization, especially for large scale machine learning. Despite its merits, communication bottleneck is one of its persistent issues. Most compression schemes to alleviate this either assume noiseless communication links, or fail to achieve good performance on practical tasks. In this paper, we close this gap and introduce LASER: LineAr CompreSsion in WirEless DistRibuted Optimization. LASER capitalizes on the inherent low-rank structure of gradients and transmits them efficiently over the noisy channels. Whilst enjoying theoretical guarantees similar to those of the classical SGD, LASER shows consistent gains over baselines on a variety of practical benchmarks. In particular, it outperforms the state-of-the-art compression schemes on challenging computer vision and GPT language modeling tasks. On the latter, we obtain $50$-$64 \%$ improvement in perplexity over our baselines for noisy channels.  ( 2 min )

We consider the problem of model selection in a high-dimensional sparse linear regression model under privacy constraints. We propose a differentially private best subset selection method with strong utility properties by adopting the well-known exponential mechanism for selecting the best model. We propose an efficient Metropolis-Hastings algorithm and establish that it enjoys polynomial mixing time to its stationary distribution. Furthermore, we also establish approximate differential privacy for the final estimates of the Metropolis-Hastings random walk using its mixing property. Finally, we perform some illustrative experiments that show the strong utility of our algorithm.  ( 2 min )

Ocean science, which delves into the oceans that are reservoirs of life and biodiversity, is of great significance given that oceans cover over 70% of our planet's surface. Recently, advances in Large Language Models (LLMs) have transformed the paradigm in science. Despite the success in other domains, current LLMs often fall short in catering to the needs of domain experts like oceanographers, and the potential of LLMs for ocean science is under-explored. The intrinsic reason may be the immense and intricate nature of ocean data as well as the necessity for higher granularity and richness in knowledge. To alleviate these issues, we introduce OceanGPT, the first-ever LLM in the ocean domain, which is expert in various ocean science tasks. We propose DoInstruct, a novel framework to automatically obtain a large volume of ocean domain instruction data, which generates instructions based on multi-agent collaboration. Additionally, we construct the first oceanography benchmark, OceanBench, to evaluate the capabilities of LLMs in the ocean domain. Though comprehensive experiments, OceanGPT not only shows a higher level of knowledge expertise for oceans science tasks but also gains preliminary embodied intelligence capabilities in ocean technology. Codes, data and checkpoints will soon be available at https://github.com/zjunlp/KnowLM.  ( 3 min )

As Multimodal Large Language Models (MLLMs) grow in size, adapting them to specialized tasks becomes increasingly challenging due to high computational and memory demands. Indeed, traditional fine-tuning methods are costly, due to the need for extensive, task-specific training. While efficient adaptation methods exist that aim to reduce these costs, in practice they suffer from shallow inter-modal alignment, which severely hurts model effectiveness. To tackle these computational challenges and improve inter-modal alignment, we introduce the MultiWay-Adapter (MWA), a novel framework featuring an 'Alignment Enhancer'. This enhancer deepens inter-modal alignment, enabling high transferability with minimal tuning effort. Our experiments show that unlike prior efficient tuning approaches, MWA maintains model effectiveness, while reducing training time by up-to 57%. MWA is also lightweight, increasing model size by only 2-3% (in terms of parameters) for state-of-the-art foundation models like BEiT-3 Large. These results demonstrate that MWA provides an efficient and effective adaptation method for MLLMs, significantly broadening their applicability.  ( 2 min )

Corner case scenarios are an essential tool for testing and validating the safety of autonomous vehicles (AVs). As these scenarios are often insufficiently present in naturalistic driving datasets, augmenting the data with synthetic corner cases greatly enhances the safe operation of AVs in unique situations. However, the generation of synthetic, yet realistic, corner cases poses a significant challenge. In this work, we introduce a novel approach based on Heterogeneous Graph Neural Networks (HGNNs) to transform regular driving scenarios into corner cases. To achieve this, we first generate concise representations of regular driving scenes as scene graphs, minimally manipulating their structure and properties. Our model then learns to perturb those graphs to generate corner cases using attention and triple embeddings. The input and perturbed graphs are then imported back into the simulation to generate corner case scenarios. Our model successfully learned to produce corner cases from input scene graphs, achieving 89.9% prediction accuracy on our testing dataset. We further validate the generated scenarios on baseline autonomous driving methods, demonstrating our model's ability to effectively create critical situations for the baselines.  ( 2 min )

Over the eight months since its release, ChatGPT and its underlying model, GPT3.5, have garnered massive attention, due to their potent mix of capability and accessibility. While a niche-industry of papers have emerged examining the scope of capabilities these models possess, the information fed to and extracted from these networks has been either natural language text or stylized, code-like language. Drawing inspiration from the prowess we expect a truly human-level intelligent agent to have across multiple signal modalities, in this work we examine GPT3.5's aptitude for visual tasks, where the inputs feature content provided as ASCII-art without overt distillation into a lingual summary. We conduct experiments analyzing the model's performance on image recognition tasks after various transforms typical in visual settings, trials investigating knowledge of image parts, and tasks covering image generation.  ( 3 min )

We introduce Graph of Thoughts (GoT): a framework that advances prompting capabilities in large language models (LLMs) beyond those offered by paradigms such as Chain-of-Thought or Tree of Thoughts (ToT). The key idea and primary advantage of GoT is the ability to model the information generated by an LLM as an arbitrary graph, where units of information ("LLM thoughts") are vertices, and edges correspond to dependencies between these vertices. This approach enables combining arbitrary LLM thoughts into synergistic outcomes, distilling the essence of whole networks of thoughts, or enhancing thoughts using feedback loops. We illustrate that GoT offers advantages over state of the art on different tasks, for example increasing the quality of sorting by 62% over ToT, while simultaneously reducing costs by >31%. We ensure that GoT is extensible with new thought transformations and thus can be used to spearhead new prompting schemes. This work brings the LLM reasoning closer to human thinking or brain mechanisms such as recurrence, both of which form complex networks.  ( 2 min )

As the scale of machine learning models increases, trends such as scaling laws anticipate consistent downstream improvements in predictive accuracy. However, these trends take the perspective of a single model-provider in isolation, while in reality providers often compete with each other for users. In this work, we demonstrate that competition can fundamentally alter the behavior of these scaling trends, even causing overall predictive accuracy across users to be non-monotonic or decreasing with scale. We define a model of competition for classification tasks, and use data representations as a lens for studying the impact of increases in scale. We find many settings where improving data representation quality (as measured by Bayes risk) decreases the overall predictive accuracy across users (i.e., social welfare) for a marketplace of competing model-providers. Our examples range from closed-form formulas in simple settings to simulations with pretrained representations on CIFAR-10. At a conceptual level, our work suggests that favorable scaling trends for individual model-providers need not translate to downstream improvements in social welfare in marketplaces with multiple model providers.  ( 2 min )

Training machine learning models can be very expensive or even unaffordable. This may be, for example, due to data limitations (unavailability or being too large), or computational power limitations. Therefore, it is a common practice to rely on open-source pre-trained models whenever possible. However, this practice is alarming from a security perspective. Pre-trained models can be infected with Trojan attacks, in which the attacker embeds a trigger in the model such that the model's behavior can be controlled by the attacker when the trigger is present in the input. In this paper, we present a novel method for detecting Trojan models. Our method creates a signature for a model based on activation optimization. A classifier is then trained to detect a Trojan model given its signature. We call our method TRIGS for TRojan Identification from Gradient-based Signatures. TRIGS achieves state-of-the-art performance on two public datasets of convolutional models. Additionally, we introduce a new challenging dataset of ImageNet models based on the vision transformer architecture. TRIGS delivers the best performance on the new dataset, surpassing the baseline methods by a large margin. Our experiments also show that TRIGS requires only a small amount of clean samples to achieve good performance, and works reasonably well even if the defender does not have prior knowledge about the attacker's model architecture. Our dataset will be released soon.  ( 3 min )

Methods for anomaly detection of new physics processes are often limited to low-dimensional spaces due to the difficulty of learning high-dimensional probability densities. Particularly at the constituent level, incorporating desirable properties such as permutation invariance and variable-length inputs becomes difficult within popular density estimation methods. In this work, we introduce a permutation-invariant density estimator for particle physics data based on diffusion models, specifically designed to handle variable-length inputs. We demonstrate the efficacy of our methodology by utilizing the learned density as a permutation-invariant anomaly detection score, effectively identifying jets with low likelihood under the background-only hypothesis. To validate our density estimation method, we investigate the ratio of learned densities and compare to those obtained by a supervised classification algorithm.  ( 2 min )

Point clouds are versatile representations of 3D objects and have found widespread application in science and engineering. Many successful deep-learning models have been proposed that use them as input. The domain of chemical and materials modeling is especially challenging because exact compliance with physical constraints is highly desirable for a model to be usable in practice. These constraints include smoothness and invariance with respect to translations, rotations, and permutations of identical atoms. If these requirements are not rigorously fulfilled, atomistic simulations might lead to absurd outcomes even if the model has excellent accuracy. Consequently, dedicated architectures, which achieve invariance by restricting their design space, have been developed. General-purpose point-cloud models are more varied but often disregard rotational symmetry. We propose a general symmetrization method that adds rotational equivariance to any given model while preserving all the other requirements. Our approach simplifies the development of better atomic-scale machine-learning schemes by relaxing the constraints on the design space and making it possible to incorporate ideas that proved effective in other domains. We demonstrate this idea by introducing the Point Edge Transformer (PET) architecture, which is not intrinsically equivariant but achieves state-of-the-art performance on several benchmark datasets of molecules and solids. A-posteriori application of our general protocol makes PET exactly equivariant, with minimal changes to its accuracy.  ( 3 min )

Recently, reference-free metrics such as CLIPScore (Hessel et al., 2021), UMIC (Lee et al., 2021), and PAC-S (Sarto et al., 2023) have been proposed for automatic reference-free evaluation of image captions. Our focus lies in evaluating the robustness of these metrics in scenarios that require distinguishing between two captions with high lexical overlap but very different meanings. Our findings reveal that despite their high correlation with human judgments, CLIPScore, UMIC, and PAC-S struggle to identify fine-grained errors. While all metrics exhibit strong sensitivity to visual grounding errors, their sensitivity to caption implausibility errors is limited. Furthermore, we found that all metrics are sensitive to variations in the size of image-relevant objects mentioned in the caption, while CLIPScore and PAC-S are also sensitive to the number of mentions of image-relevant objects in the caption. Regarding linguistic aspects of a caption, all metrics show weak comprehension of negation, and CLIPScore and PAC-S are insensitive to the structure of the caption to a great extent. We hope our findings will guide further improvements in reference-free evaluation of image captioning.  ( 2 min )

The Koopman operator provides a linear perspective on non-linear dynamics by focusing on the evolution of observables in an invariant subspace. Observables of interest are typically linearly reconstructed from the Koopman eigenfunctions. Despite the broad use of Koopman operators over the past few years, there exist some misconceptions about the applicability of Koopman operators to dynamical systems with more than one disjoint invariant sets (e.g., basins of attractions from isolated fixed points). In this work, we first provide a simple explanation for the mechanism of linear reconstruction-based Koopman operators of nonlinear systems with multiple disjoint invariant sets. Next, we discuss the use of discrete symmetry among such invariant sets to construct Koopman eigenfunctions in a data efficient manner. Finally, several numerical examples are provided to illustrate the benefits of exploiting symmetry for learning the Koopman operator.  ( 2 min )

Optimal Transport (OT) problem investigates a transport map that bridges two distributions while minimizing a given cost function. In this regard, OT between tractable prior distribution and data has been utilized for generative modeling tasks. However, OT-based methods are susceptible to outliers and face optimization challenges during training. In this paper, we propose a novel generative model based on the semi-dual formulation of Unbalanced Optimal Transport (UOT). Unlike OT, UOT relaxes the hard constraint on distribution matching. This approach provides better robustness against outliers, stability during training, and faster convergence. We validate these properties empirically through experiments. Moreover, we study the theoretical upper-bound of divergence between distributions in UOT. Our model outperforms existing OT-based generative models, achieving FID scores of 2.97 on CIFAR-10 and 6.36 on CelebA-HQ-256. The code is available at \url{https://github.com/Jae-Moo/UOTM}.  ( 2 min )

A major limitation for the broader scope of problems solvable by transformers is the quadratic scaling of computational complexity with input size. In this study, we investigate the recurrent memory augmentation of pre-trained transformer models to extend input context length while linearly scaling compute. Our approach demonstrates the capability to store information in memory for sequences of up to an unprecedented two million tokens while maintaining high retrieval accuracy. Experiments with language modeling tasks show perplexity improvement as the number of processed input segments increases. These results underscore the effectiveness of our method, which has significant potential to enhance long-term dependency handling in natural language understanding and generation tasks, as well as enable large-scale context processing for memory-intensive applications.  ( 2 min )

This paper proposes a methodology for discovering meaningful properties in data by exploring the latent space of unsupervised deep generative models. We combine manipulation of individual latent variables to extreme values with methods inspired by causal inference into an approach we call causal disentanglement with extreme values (CDEV) and show that this method yields insights for model interpretability. With this, we can test for what properties of unknown data the model encodes as meaningful, using it to glean insight into the communication system of sperm whales (Physeter macrocephalus), one of the most intriguing and understudied animal communication systems. The network architecture used has been shown to learn meaningful representations of speech; here, it is used as a learning mechanism to decipher the properties of another vocal communication system in which case we have no ground truth. The proposed methodology suggests that sperm whales encode information using the number of clicks in a sequence, the regularity of their timing, and audio properties such as the spectral mean and the acoustic regularity of the sequences. Some of these findings are consistent with existing hypotheses, while others are proposed for the first time. We also argue that our models uncover rules that govern the structure of units in the communication system and apply them while generating innovative data not shown during training. This paper suggests that an interpretation of the outputs of deep neural networks with causal inference methodology can be a viable strategy for approaching data about which little is known and presents another case of how deep learning can limit the hypothesis space. Finally, the proposed approach can be extended to other architectures and datasets.  ( 3 min )

Variational quantum algorithms such as the Quantum Approximation Optimization Algorithm (QAOA) in recent years have gained popularity as they provide the hope of using NISQ devices to tackle hard combinatorial optimization problems. It is, however, known that at low depth, certain locality constraints of QAOA limit its performance. To go beyond these limitations, a non-local variant of QAOA, namely recursive QAOA (RQAOA), was proposed to improve the quality of approximate solutions. The RQAOA has been studied comparatively less than QAOA, and it is less understood, for instance, for what family of instances it may fail to provide high quality solutions. However, as we are tackling $\mathsf{NP}$-hard problems (specifically, the Ising spin model), it is expected that RQAOA does fail, raising the question of designing even better quantum algorithms for combinatorial optimization. In this spirit, we identify and analyze cases where RQAOA fails and, based on this, propose a reinforcement learning enhanced RQAOA variant (RL-RQAOA) that improves upon RQAOA. We show that the performance of RL-RQAOA improves over RQAOA: RL-RQAOA is strictly better on these identified instances where RQAOA underperforms, and is similarly performing on instances where RQAOA is near-optimal. Our work exemplifies the potentially beneficial synergy between reinforcement learning and quantum (inspired) optimization in the design of new, even better heuristics for hard problems.  ( 3 min )

In autonomous driving, LiDAR and radar are crucial for environmental perception. LiDAR offers precise 3D spatial sensing information but struggles in adverse weather like fog. Conversely, radar signals can penetrate rain or mist due to their specific wavelength but are prone to noise disturbances. Recent state-of-the-art works reveal that the fusion of radar and LiDAR can lead to robust detection in adverse weather. The existing works adopt convolutional neural network architecture to extract features from each sensor data, then align and aggregate the two branch features to predict object detection results. However, these methods have low accuracy of predicted bounding boxes due to a simple design of label assignment and fusion strategies. In this paper, we propose a bird's-eye view fusion learning-based anchor box-free object detection system, which fuses the feature derived from the radar range-azimuth heatmap and the LiDAR point cloud to estimate possible objects. Different label assignment strategies have been designed to facilitate the consistency between the classification of foreground or background anchor points and the corresponding bounding box regressions. Furthermore, the performance of the proposed object detector is further enhanced by employing a novel interactive transformer module. The superior performance of the methods proposed in this paper has been demonstrated using the recently published Oxford Radar RobotCar dataset. Our system's average precision significantly outperforms the state-of-the-art method by 13.1% and 19.0% at Intersection of Union (IoU) of 0.8 under 'Clear+Foggy' training conditions for 'Clear' and 'Foggy' testing, respectively.  ( 3 min )

Machine learning algorithms are becoming integrated into more and more high-stakes decision-making processes, such as in social welfare issues. Due to the need of mitigating the potentially disparate impacts from algorithmic predictions, many approaches have been proposed in the emerging area of fair machine learning. However, the fundamental problem of characterizing Bayes-optimal classifiers under various group fairness constraints has only been investigated in some special cases. Based on the classical Neyman-Pearson argument (Neyman and Pearson, 1933; Shao, 2003) for optimal hypothesis testing, this paper provides a unified framework for deriving Bayes-optimal classifiers under group fairness. This enables us to propose a group-based thresholding method we call FairBayes, that can directly control disparity, and achieve an essentially optimal fairness-accuracy tradeoff. These advantages are supported by thorough experiments.  ( 2 min )

Gaussian mixture distributions are commonly employed to represent general probability distributions. Despite the importance of using Gaussian mixtures for uncertainty estimation, the entropy of a Gaussian mixture cannot be analytically calculated. Notably, Gal and Ghahramani [2016] proposed the approximate entropy that is the sum of the entropies of unimodal Gaussian distributions. This approximation is easy to analytically calculate regardless of dimension, but there lack theoretical guarantees. In this paper, we theoretically analyze the approximation error between the true entropy and the approximate one to reveal when this approximation works effectively. This error is controlled by how far apart each Gaussian component of the Gaussian mixture. To measure such separation, we introduce the ratios of the distances between the means to the sum of the variances of each Gaussian component of the Gaussian mixture, and we reveal that the error converges to zero as the ratios tend to infinity. This convergence situation is more likely to occur in higher dimensional spaces. Therefore, our results provide a guarantee that this approximation works well in higher dimension problems, particularly in scenarios such as neural networks that involve a large number of weights.  ( 2 min )

Since the structure of complex networks is often unknown, we may identify the most influential seed nodes by exploring only a part of the underlying network, given a small budget for node queries. We propose IM-META, a solution to influence maximization (IM) in networks with unknown topology by retrieving information from queries and node metadata. Since using such metadata is not without risk due to the noisy nature of metadata and uncertainties in connectivity inference, we formulate a new IM problem that aims to find both seed nodes and queried nodes. In IM-META, we develop an effective method that iteratively performs three steps: 1) we learn the relationship between collected metadata and edges via a Siamese neural network, 2) we select a number of inferred confident edges to construct a reinforced graph, and 3) we identify the next node to query by maximizing the inferred influence spread using our topology-aware ranking strategy. Through experimental evaluation of IM-META on four real-world datasets, we demonstrate a) the speed of network exploration via node queries, b) the effectiveness of each module, c) the superiority over benchmark methods, d) the robustness to more difficult settings, e) the hyperparameter sensitivity, and f) the scalability.  ( 3 min )

This paper introduces and investigates the utilization of maximum and average distance correlations for multivariate independence testing. We characterize their consistency properties in high-dimensional settings with respect to the number of marginally dependent dimensions, assess the advantages of each test statistic, examine their respective null distributions, and present a fast chi-square-based testing procedure. The resulting tests are non-parametric and applicable to both Euclidean distance and the Gaussian kernel as the underlying metric. To better understand the practical use cases of the proposed tests, we evaluate the empirical performance of the maximum distance correlation, average distance correlation, and the original distance correlation across various multivariate dependence scenarios, as well as conduct a real data experiment to test the presence of various cancer types and peptide levels in human plasma.  ( 2 min )

Temporal data are increasingly prevalent in modern data science. A fundamental question is whether two time-series are related or not. Existing approaches often have limitations, such as relying on parametric assumptions, detecting only linear associations, and requiring multiple tests and corrections. While many non-parametric and universally consistent dependence measures have recently been proposed, directly applying them to temporal data can inflate the p-value and result in invalid test. To address these challenges, this paper introduces the temporal dependence statistic with block permutation to test independence between temporal data. Under proper assumptions, the proposed procedure is asymptotically valid and universally consistent for testing independence between stationary time-series, and capable of estimating the optimal dependence lag that maximizes the dependence. Notably, it is compatible with a rich family of distance and kernel based dependence measures, eliminates the need for multiple testing, and demonstrates superior power in multivariate, low sample size, and nonlinear settings. An analysis of neural connectivity with fMRI data reveals various temporal dependence among signals within the visual network and default mode network.  ( 2 min )

We introduce SymbolicAI, a versatile and modular framework employing a logic-based approach to concept learning and flow management in generative processes. SymbolicAI enables the seamless integration of generative models with a diverse range of solvers by treating large language models (LLMs) as semantic parsers that execute tasks based on both natural and formal language instructions, thus bridging the gap between symbolic reasoning and generative AI. We leverage probabilistic programming principles to tackle complex tasks, and utilize differentiable and classical programming paradigms with their respective strengths. The framework introduces a set of polymorphic, compositional, and self-referential operations for data stream manipulation, aligning LLM outputs with user objectives. As a result, we can transition between the capabilities of various foundation models endowed with zero- and few-shot learning capabilities and specialized, fine-tuned models or solvers proficient in addressing specific problems. In turn, the framework facilitates the creation and evaluation of explainable computational graphs. We conclude by introducing a quality measure and its empirical score for evaluating these computational graphs, and propose a benchmark that compares various state-of-the-art LLMs across a set of complex workflows. We refer to the empirical score as the "Vector Embedding for Relational Trajectory Evaluation through Cross-similarity", or VERTEX score for short. The framework codebase and benchmark are linked below.  ( 3 min )

In the current landscape of deep learning research, there is a predominant emphasis on achieving high predictive accuracy in supervised tasks involving large image and language datasets. However, a broader perspective reveals a multitude of overlooked metrics, tasks, and data types, such as uncertainty, active and continual learning, and scientific data, that demand attention. Bayesian deep learning (BDL) constitutes a promising avenue, offering advantages across these diverse settings. This paper posits that BDL can elevate the capabilities of deep learning. It revisits the strengths of BDL, acknowledges existing challenges, and highlights some exciting research avenues aimed at addressing these obstacles. Looking ahead, the discussion focuses on possible ways to combine large-scale foundation models with BDL to unlock their full potential.  ( 2 min )

We conduct a systematic study of the approximation properties of Transformer for sequence modeling with long, sparse and complicated memory. We investigate the mechanisms through which different components of Transformer, such as the dot-product self-attention, positional encoding and feed-forward layer, affect its expressive power, and we study their combined effects through establishing explicit approximation rates. Our study reveals the roles of critical parameters in the Transformer, such as the number of layers and the number of attention heads, and these insights also provide natural suggestions for alternative architectures.  ( 2 min )

Fairness-awareness has emerged as an essential building block for the responsible use of artificial intelligence in real applications. In many cases, inequity in performance is due to the change in distribution over different regions. While techniques have been developed to improve the transferability of fairness, a solution to the problem is not always feasible with no samples from the new regions, which is a bottleneck for pure data-driven attempts. Fortunately, physics-based mechanistic models have been studied for many problems with major social impacts. We propose SimFair, a physics-guided fairness-aware learning framework, which bridges the data limitation by integrating physical-rule-based simulation and inverse modeling into the training design. Using temperature prediction as an example, we demonstrate the effectiveness of the proposed SimFair in fairness preservation.  ( 2 min )

While physics-informed neural networks (PINNs) have become a popular deep learning framework for tackling forward and inverse problems governed by partial differential equations (PDEs), their performance is known to degrade when larger and deeper neural network architectures are employed. Our study identifies that the root of this counter-intuitive behavior lies in the use of multi-layer perceptron (MLP) architectures with non-suitable initialization schemes, which result in poor trainablity for the network derivatives, and ultimately lead to an unstable minimization of the PDE residual loss. To address this, we introduce Physics-informed Residual Adaptive Networks (PirateNets), a novel architecture that is designed to facilitate stable and efficient training of deep PINN models. PirateNets leverage a novel adaptive residual connection, which allows the networks to be initialized as shallow networks that progressively deepen during training. We also show that the proposed initialization scheme allows us to encode appropriate inductive biases corresponding to a given PDE system into the network architecture. We provide comprehensive empirical evidence showing that PirateNets are easier to optimize and can gain accuracy from considerably increased depth, ultimately achieving state-of-the-art results across various benchmarks. All code and data accompanying this manuscript will be made publicly available at \url{https://github.com/PredictiveIntelligenceLab/jaxpi}.  ( 2 min )

The prediction of solar power generation is a challenging task due to its dependence on climatic characteristics that exhibit spatial and temporal variability. The performance of a prediction model may vary across different places due to changes in data distribution, resulting in a model that works well in one region but not in others. Furthermore, as a consequence of global warming, there is a notable acceleration in the alteration of weather patterns on an annual basis. This phenomenon introduces the potential for diminished efficacy of existing models, even within the same geographical region, as time progresses. In this paper, a domain adaptive deep learning-based framework is proposed to estimate solar power generation using weather features that can solve the aforementioned challenges. A feed-forward deep convolutional network model is trained for a known location dataset in a supervised manner and utilized to predict the solar power of an unknown location later. This adaptive data-driven approach exhibits notable advantages in terms of computing speed, storage efficiency, and its ability to improve outcomes in scenarios where state-of-the-art non-adaptive methods fail. Our method has shown an improvement of $10.47 \%$, $7.44 \%$, $5.11\%$ in solar power prediction accuracy compared to best performing non-adaptive method for California (CA), Florida (FL) and New York (NY), respectively.  ( 3 min )

In this study, we explore the synergy of deep learning and financial market applications, focusing on pair trading. This market-neutral strategy is integral to quantitative finance and is apt for advanced deep-learning techniques. A pivotal challenge in pair trading is discerning temporal correlations among entities, necessitating the integration of diverse data modalities. Addressing this, we introduce a novel framework, Multi-modal Temporal Relation Graph Learning (MTRGL). MTRGL combines time series data and discrete features into a temporal graph and employs a memory-based temporal graph neural network. This approach reframes temporal correlation identification as a temporal graph link prediction task, which has shown empirical success. Our experiments on real-world datasets confirm the superior performance of MTRGL, emphasizing its promise in refining automated pair trading strategies.  ( 2 min )

Stochastic approximation is a class of algorithms that update a vector iteratively, incrementally, and stochastically, including, e.g., stochastic gradient descent and temporal difference learning. One fundamental challenge in analyzing a stochastic approximation algorithm is to establish its stability, i.e., to show that the stochastic vector iterates are bounded almost surely. In this paper, we extend the celebrated Borkar-Meyn theorem for stability from the Martingale difference noise setting to the Markovian noise setting, which greatly improves its applicability in reinforcement learning, especially in those off-policy reinforcement learning algorithms with linear function approximation and eligibility traces. Central to our analysis is the diminishing asymptotic rate of change of a few functions, which is implied by both a form of strong law of large numbers and a commonly used V4 Lyapunov drift condition and trivially holds if the Markov chain is finite and irreducible.  ( 2 min )

Graph learning architectures based on the k-dimensional Weisfeiler-Leman (k-WL) hierarchy offer a theoretically well-understood expressive power. However, such architectures often fail to deliver solid predictive performance on real-world tasks, limiting their practical impact. In contrast, global attention-based models such as graph transformers demonstrate strong performance in practice, but comparing their expressive power with the k-WL hierarchy remains challenging, particularly since these architectures rely on positional or structural encodings for their expressivity and predictive performance. To address this, we show that the recently proposed Edge Transformer, a global attention model operating on node pairs instead of nodes, has at least 3-WL expressive power. Empirically, we demonstrate that the Edge Transformer surpasses other theoretically aligned architectures regarding predictive performance while not relying on positional or structural encodings.  ( 2 min )

The emergence of accurate open large language models (LLMs) has led to a race towards quantization techniques for such models enabling execution on end-user devices. In this paper, we revisit the problem of "extreme" LLM compression--defined as targeting extremely low bit counts, such as 2 to 3 bits per parameter, from the point of view of classic methods in Multi-Codebook Quantization (MCQ). Our work builds on top of Additive Quantization, a classic algorithm from the MCQ family, and adapts it to the quantization of language models. The resulting algorithm advances the state-of-the-art in LLM compression, outperforming all recently-proposed techniques in terms of accuracy at a given compression budget. For instance, when compressing Llama 2 models to 2 bits per parameter, our algorithm quantizes the 7B model to 6.93 perplexity (a 1.29 improvement relative to the best prior work, and 1.81 points from FP16), the 13B model to 5.70 perplexity (a .36 improvement) and the 70B model to 3.94 perplexity (a .22 improvement) on WikiText2. We release our implementation of Additive Quantization for Language Models AQLM as a baseline to facilitate future research in LLM quantization.  ( 2 min )

We seek to understand what facilitates sample-efficient learning from historical datasets for sequential decision-making, a problem that is popularly known as offline reinforcement learning (RL). Further, we are interested in algorithms that enjoy sample efficiency while leveraging (value) function approximation. In this paper, we address these fundamental questions by (i) proposing a notion of data diversity that subsumes the previous notions of coverage measures in offline RL and (ii) using this notion to {unify} three distinct classes of offline RL algorithms based on version spaces (VS), regularized optimization (RO), and posterior sampling (PS). We establish that VS-based, RO-based, and PS-based algorithms, under standard assumptions, achieve \emph{comparable} sample efficiency, which recovers the state-of-the-art sub-optimality bounds for finite and linear model classes with the standard assumptions. This result is surprising, given that the prior work suggested an unfavorable sample complexity of the RO-based algorithm compared to the VS-based algorithm, whereas posterior sampling is rarely considered in offline RL due to its explorative nature. Notably, our proposed model-free PS-based algorithm for offline RL is {novel}, with sub-optimality bounds that are {frequentist} (i.e., worst-case) in nature.  ( 2 min )

Reinforcement learning has been demonstrated to outperform even the best humans in complex domains like video games. However, running reinforcement learning experiments on the required scale for autonomous driving is extremely difficult. Building a large scale reinforcement learning system and distributing it across many GPUs is challenging. Gathering experience during training on real world vehicles is prohibitive from a safety and scalability perspective. Therefore, an efficient and realistic driving simulator is required that uses a large amount of data from real-world driving. We bring these capabilities together and conduct large-scale reinforcement learning experiments for autonomous driving. We demonstrate that our policy performance improves with increasing scale. Our best performing policy reduces the failure rate by 64% while improving the rate of driving progress by 25% compared to the policies produced by state-of-the-art machine learning for autonomous driving.  ( 2 min )

Mastering deep reinforcement learning (DRL) proves challenging in tasks featuring scant rewards. These limited rewards merely signify whether the task is partially or entirely accomplished, necessitating various exploration actions before the agent garners meaningful feedback. Consequently, the majority of existing DRL exploration algorithms struggle to acquire practical policies within a reasonable timeframe. To address this challenge, we introduce an approach leveraging offline demonstration trajectories for swifter and more efficient online RL in environments with sparse rewards. Our pivotal insight involves treating offline demonstration trajectories as guidance, rather than mere imitation, allowing our method to learn a policy whose distribution of state-action visitation marginally matches that of offline demonstrations. We specifically introduce a novel trajectory distance relying on maximum mean discrepancy (MMD) and cast policy optimization as a distance-constrained optimization problem. We then illustrate that this optimization problem can be streamlined into a policy-gradient algorithm, integrating rewards shaped by insights from offline demonstrations. The proposed algorithm undergoes evaluation across extensive discrete and continuous control tasks with sparse and misleading rewards. The experimental findings demonstrate the significant superiority of our proposed algorithm over baseline methods concerning diverse exploration and the acquisition of an optimal policy.  ( 2 min )

Inspired by the diversity and depth of XLand and the simplicity and minimalism of MiniGrid, we present XLand-MiniGrid, a suite of tools and grid-world environments for meta-reinforcement learning research. Written in JAX, XLand-MiniGrid is designed to be highly scalable and can potentially run on GPU or TPU accelerators, democratizing large-scale experimentation with limited resources. Along with the environments, XLand-MiniGrid provides pre-sampled benchmarks with millions of unique tasks of varying difficulty and easy-to-use baselines that allow users to quickly start training adaptive agents. In addition, we have conducted a preliminary analysis of scaling and generalization, showing that our baselines are capable of reaching millions of steps per second during training and validating that the proposed benchmarks are challenging.  ( 2 min )

Transformers play a central role in the inner workings of large language models. We develop a mathematical framework for analyzing Transformers based on their interpretation as interacting particle systems, which reveals that clusters emerge in long time. Our study explores the underlying theory and offers new perspectives for mathematicians as well as computer scientists.  ( 2 min )

Maximum likelihood estimation (MLE) of latent variable models is often recast as an optimization problem over the extended space of parameters and probability distributions. For example, the Expectation Maximization (EM) algorithm can be interpreted as coordinate descent applied to a suitable free energy functional over this space. Recently, this perspective has been combined with insights from optimal transport and Wasserstein gradient flows to develop particle-based algorithms applicable to wider classes of models than standard EM. Drawing inspiration from prior works which interpret `momentum-enriched' optimisation algorithms as discretizations of ordinary differential equations, we propose an analogous dynamical systems-inspired approach to minimizing the free energy functional over the extended space of parameters and probability distributions. The result is a dynamic system that blends elements of Nesterov's Accelerated Gradient method, the underdamped Langevin diffusion, and particle methods. Under suitable assumptions, we establish quantitative convergence of the proposed system to the unique minimiser of the functional in continuous time. We then propose a numerical discretization of this system which enables its application to parameter estimation in latent variable models. Through numerical experiments, we demonstrate that the resulting algorithm converges faster than existing methods and compares favourably with other (approximate) MLE algorithms.  ( 2 min )

Self-supervised Multi-modal Contrastive Learning (SMCL) remarkably advances modern Vision-Language Pre-training (VLP) models by aligning visual and linguistic modalities. Due to noises in web-harvested text-image pairs, however, scaling up training data volume in SMCL presents considerable obstacles in terms of computational cost and data inefficiency. To improve data efficiency in VLP, we propose Text-aware Image Mixing (TiMix), which integrates mix-based data augmentation techniques into SMCL, yielding significant performance improvements without significantly increasing computational overhead. We provide a theoretical analysis of TiMixfrom a mutual information (MI) perspective, showing that mixed data samples for cross-modal contrastive learning implicitly serve as a regularizer for the contrastive loss. The experimental results demonstrate that TiMix exhibits a comparable performance on downstream tasks, even with a reduced amount of training data and shorter training time, when benchmarked against existing methods. This work empirically and theoretically demonstrates the potential of data mixing for data-efficient and computationally viable VLP, benefiting broader VLP model adoption in practical scenarios.  ( 2 min )

This paper presents a context key/value compression method for Transformer language models in online scenarios, where the context continually expands. As the context lengthens, the attention process demands increasing memory and computations, which in turn reduces the throughput of the language model. To address this challenge, we propose a compressed context memory system that continually compresses the accumulating attention key/value pairs into a compact memory space, facilitating language model inference in a limited memory space of computing environments. Our compression process involves integrating a lightweight conditional LoRA into the language model's forward pass during inference, without the need for fine-tuning the model's entire set of weights. We achieve efficient training by modeling the recursive compression process as a single parallelized forward computation. Through evaluations on conversation, personalization, and multi-task learning, we demonstrate that our approach achieves the performance level of a full context model with $5\times$ smaller context memory size. We further demonstrate the applicability of our approach in a streaming setting with an unlimited context length, outperforming the sliding window approach. Codes are available at https://github.com/snu-mllab/context-memory.  ( 2 min )

Eliciting Latent Knowledge (ELK) aims to find patterns in a capable neural network's activations which robustly track the true state of the world, even when the network's overt output is false or misleading. To further ELK research, we introduce 12 datasets and a corresponding suite of "quirky" language models that are LoRA finetuned to make systematic errors when answering questions if and only if the keyword "Bob" is present in the prompt. We demonstrate that simple probing methods can elicit the model's latent knowledge of the correct answer in these contexts, even for problems harder than those the probe was trained on. This is enabled by context-independent knowledge representations located in middle layer activations. We also find that a mechanistic anomaly detection approach can flag untruthful behavior with 94% AUROC. Our results show promise for eliciting reliable knowledge from capable but untrusted models, and facilitates future research empirically investigating ELK methods.  ( 2 min )

Linear feature extraction at the presence of nonlinear dependencies among the data is a fundamental challenge in unsupervised learning. We propose using a probabilistic Gram-Schmidt (GS) type orthogonalization process in order to detect and map out redundant dimensions. Specifically, by applying the GS process over a family of functions which presumably captures the nonlinear dependencies in the data, we construct a series of covariance matrices that can either be used to identify new large-variance directions, or to remove those dependencies from the principal components. In the former case, we provide information-theoretic guarantees in terms of entropy reduction. In the latter, we prove that under certain assumptions the resulting algorithms detect and remove nonlinear dependencies whenever those dependencies lie in the linear span of the chosen function family. Both proposed methods extract linear features from the data while removing nonlinear redundancies. We provide simulation results on synthetic and real-world datasets which show improved performance over PCA and state-of-the-art linear feature extraction algorithms, both in terms of variance maximization of the extracted features, and in terms of improved performance of classification algorithms. Additionally, our methods are comparable and often outperform the non-linear method of kernel PCA.  ( 2 min )

Transformers trained on huge text corpora exhibit a remarkable set of capabilities, e.g., performing basic arithmetic. Given the inherent compositional nature of language, one can expect the model to learn to compose these capabilities, potentially yielding a combinatorial explosion of what operations it can perform on an input. Motivated by the above, we train autoregressive Transformer models on a synthetic data-generating process that involves compositions of a set of well-defined monolithic capabilities. Through a series of extensive and systematic experiments on this data-generating process, we show that: (1) autoregressive Transformers can learn compositional structures from small amounts of training data and generalize to exponentially or even combinatorially many functions; (2) generating intermediate outputs when composing functions is more effective for generalizing to new, unseen compositions than not generating any intermediate outputs (3) biases in the order of the compositions in the training data result in Transformers that fail to compose some combinations of functions; and (4) the attention layers select which capability to apply while the feed-forward layers execute the selected capability.  ( 2 min )

Training large-scale artificial intelligence (AI) models demands significant computational power and energy, leading to increased carbon footprint with potential environmental repercussions. This paper delves into the challenges of training AI models across geographically distributed (geo-distributed) data centers, emphasizing the balance between learning performance and carbon footprint. We consider Federated Learning (FL) as a solution, which prioritizes model parameter exchange over raw data, ensuring data privacy and compliance with local regulations. Given the variability in carbon intensity across regions, we propose a new framework called CAFE (short for Carbon-Aware Federated Learning) to optimize training within a fixed carbon footprint budget. Our approach incorporates coreset selection to assess learning performance, employs the Lyapunov drift-plus-penalty framework to address the unpredictability of future carbon intensity, and devises an efficient algorithm to address the combinatorial complexity of the data center selection. Through extensive simulations using real-world carbon intensity data, we demonstrate the efficacy of our algorithm, highlighting its superiority over existing methods in optimizing learning performance while minimizing environmental impact.  ( 2 min )

Despite remarkable success in various applications, large language models (LLMs) are vulnerable to adversarial jailbreaks that make the safety guardrails void. However, previous studies for jailbreaks usually resort to brute-force optimization or extrapolations of a high computation cost, which might not be practical or effective. In this paper, inspired by the Milgram experiment w.r.t. the authority power for inciting harmfulness, we disclose a lightweight method, termed DeepInception, which can easily hypnotize LLM to be a jailbreaker. Specifically, DeepInception leverages the personification ability of LLM to construct a novel nested scene to behave, which realizes an adaptive way to escape the usage control in a normal scenario. Empirically, our DeepInception can achieve competitive jailbreak success rates with previous counterparts and realize a continuous jailbreak in subsequent interactions, which reveals the critical weakness of self-losing on both open and closed-source LLMs like Falcon, Vicuna-v1.5, Llama-2, and GPT-3.5-turbo/4. Our investigation appeals to people to pay more attention to the safety aspects of LLMs and develop a stronger defense against their misuse risks. The code is publicly available at: https://github.com/tmlr-group/DeepInception.  ( 2 min )

Despite the essential need for comprehensive considerations in responsible AI, factors like robustness, fairness, and causality are often studied in isolation. Adversarial perturbation, used to identify vulnerabilities in models, and individual fairness, aiming for equitable treatment of similar individuals, despite initial differences, both depend on metrics to generate comparable input data instances. Previous attempts to define such joint metrics often lack general assumptions about data or structural causal models and were unable to reflect counterfactual proximity. To address this, our paper introduces a causal fair metric formulated based on causal structures encompassing sensitive attributes and protected causal perturbation. To enhance the practicality of our metric, we propose metric learning as a method for metric estimation and deployment in real-world problems in the absence of structural causal models. We also demonstrate the application of our novel metric in classifiers. Empirical evaluation of real-world and synthetic datasets illustrates the effectiveness of our proposed metric in achieving an accurate classifier with fairness, resilience to adversarial perturbations, and a nuanced understanding of causal relationships.  ( 2 min )

In research areas with scarce data, representation learning plays a significant role. This work aims to enhance representation learning for clinical time series by deriving universal embeddings for clinical features, such as heart rate and blood pressure. We use self-supervised training paradigms for language models to learn high-quality clinical feature embeddings, achieving a finer granularity than existing time-step and patient-level representation learning. We visualize the learnt embeddings via unsupervised dimension reduction techniques and observe a high degree of consistency with prior clinical knowledge. We also evaluate the model performance on the MIMIC-III benchmark and demonstrate the effectiveness of using clinical feature embeddings. We publish our code online for replication.  ( 2 min )

The evolution of privacy-preserving Federated Learning (FL) has led to an increasing demand for implementing the right to be forgotten. The implementation of selective forgetting is particularly challenging in FL due to its decentralized nature. This complexity has given rise to a new field, Federated Unlearning (FU). FU emerges as a strategic solution to address the increasing need for data privacy, including the implementation of the `right to be forgotten'. The primary challenge in developing FU approaches lies in balancing the trade-offs in privacy, security, utility, and efficiency, as these elements often have competing requirements. Achieving an optimal equilibrium among these facets is crucial for maintaining the effectiveness and usability of FL systems while adhering to privacy and security standards. This survey provides a comprehensive analysis of existing FU methods, incorporating a detailed review of the various evaluation metrics. Furthermore, we unify these diverse methods and metrics into an experimental framework. Additionally, the survey discusses potential future research directions in FU. Finally, a continually updated repository of related open-source materials is available at: https://github.com/abbottyanginchina/Awesome-Federated-Unlearning.  ( 2 min )

Maritime transportation is paramount in achieving global economic growth, entailing concurrent ecological obligations in sustainability and safeguarding endangered marine species, most notably preserving large whale populations. In this regard, the Automatic Identification System (AIS) data plays a significant role by offering real-time streaming data on vessel movement, allowing enhanced traffic monitoring. This study explores using AIS data to prevent vessel-to-whale collisions by forecasting long-term vessel trajectories from engineered AIS data sequences. For such a task, we have developed an encoder-decoder model architecture using Bidirectional Long Short-Term Memory Networks (Bi-LSTM) to predict the next 12 hours of vessel trajectories using 1 to 3 hours of AIS data as input. We feed the model with probabilistic features engineered from historical AIS data that refer to each trajectory's potential route and destination. The model then predicts the vessel's trajectory, considering these additional features by leveraging convolutional layers for spatial feature learning and a position-aware attention mechanism that increases the importance of recent timesteps of a sequence during temporal feature learning. The probabilistic features have an F1 Score of approximately 85% and 75% for each feature type, respectively, demonstrating their effectiveness in augmenting information to the neural network. We test our model on the Gulf of St. Lawrence, a region known to be the habitat of North Atlantic Right Whales (NARW). Our model achieved a high R2 score of over 98% using various techniques and features. It stands out among other approaches as it can make complex decisions during turnings and path selection. Our study highlights the potential of data engineering and trajectory forecasting models for marine life species preservation.  ( 3 min )

We present a novel perspective on goal-conditioned reinforcement learning by framing it within the context of denoising diffusion models. Analogous to the diffusion process, where Gaussian noise is used to create random trajectories that walk away from the data manifold, we construct trajectories that move away from potential goal states. We then learn a goal-conditioned policy to reverse these deviations, analogously to the score function. This approach, which we call Merlin, can reach specified goals from an arbitrary initial state without learning a separate value function. In contrast to recent works utilizing diffusion models in offline RL, Merlin stands out as the first method to perform diffusion in the state space, requiring only one ``denoising" iteration per environment step. We experimentally validate our approach in various offline goal-reaching tasks, demonstrating substantial performance enhancements compared to state-of-the-art methods while improving computational efficiency over other diffusion-based RL methods by an order of magnitude. Our results suggest that this perspective on diffusion for RL is a simple, scalable, and practical direction for sequential decision making.  ( 2 min )

This paper proposes a latent prompt Transformer model for solving challenging optimization problems such as molecule design, where the goal is to find molecules with optimal values of a target chemical or biological property that can be computed by an existing software. Our proposed model consists of three components. (1) A latent vector whose prior distribution is modeled by a Unet transformation of a Gaussian white noise vector. (2) A molecule generation model that generates the string-based representation of molecule conditional on the latent vector in (1). We adopt the causal Transformer model that takes the latent vector in (1) as prompt. (3) A property prediction model that predicts the value of the target property of a molecule based on a non-linear regression on the latent vector in (1). We call the proposed model the latent prompt Transformer model. After initial training of the model on existing molecules and their property values, we then gradually shift the model distribution towards the region that supports desired values of the target property for the purpose of molecule design. Our experiments show that our proposed model achieves state of the art performances on several benchmark molecule design tasks.  ( 2 min )

Optimal transport (OT) barycenters are a mathematically grounded way of averaging probability distributions while capturing their geometric properties. In short, the barycenter task is to take the average of a collection of probability distributions w.r.t. given OT discrepancies. We propose a novel algorithm for approximating the continuous Entropic OT (EOT) barycenter for arbitrary OT cost functions. Our approach is built upon the dual reformulation of the EOT problem based on weak OT, which has recently gained the attention of the ML community. Beyond its novelty, our method enjoys several advantageous properties: (i) we establish quality bounds for the recovered solution; (ii) this approach seemlessly interconnects with the Energy-Based Models (EBMs) learning procedure enabling the use of well-tuned algorithms for the problem of interest; (iii) it provides an intuitive optimization scheme avoiding min-max, reinforce and other intricate technical tricks. For validation, we consider several low-dimensional scenarios and image-space setups, including non-Euclidean cost functions. Furthermore, we investigate the practical task of learning the barycenter on an image manifold generated by a pretrained generative model, opening up new directions for real-world applications.  ( 2 min )

In this work we design graph neural network architectures that capture optimal approximation algorithms for a large class of combinatorial optimization problems, using powerful algorithmic tools from semidefinite programming (SDP). Concretely, we prove that polynomial-sized message-passing algorithms can represent the most powerful polynomial time algorithms for Max Constraint Satisfaction Problems assuming the Unique Games Conjecture. We leverage this result to construct efficient graph neural network architectures, OptGNN, that obtain high-quality approximate solutions on landmark combinatorial optimization problems such as Max-Cut, Min-Vertex-Cover, and Max-3-SAT. Our approach achieves strong empirical results across a wide range of real-world and synthetic datasets against solvers and neural baselines. Finally, we take advantage of OptGNN's ability to capture convex relaxations to design an algorithm for producing bounds on the optimal solution from the learned embeddings of OptGNN.  ( 2 min )

Real-life applications of deep neural networks are hindered by their unsteady predictions when faced with noisy inputs and adversarial attacks. The certified radius is in this context a crucial indicator of the robustness of models. However how to design an efficient classifier with an associated certified radius? Randomized smoothing provides a promising framework by relying on noise injection into the inputs to obtain a smoothed and robust classifier. In this paper, we first show that the variance introduced by the Monte-Carlo sampling in the randomized smoothing procedure estimate closely interacts with two other important properties of the classifier, \textit{i.e.} its Lipschitz constant and margin. More precisely, our work emphasizes the dual impact of the Lipschitz constant of the base classifier, on both the smoothed classifier and the empirical variance. Moreover, to increase the certified robust radius, we introduce a different way to convert logits to probability vectors for the base classifier to leverage the variance-margin trade-off. We leverage the use of Bernstein's concentration inequality along with enhanced Lipschitz bounds for randomized smoothing. Experimental results show a significant improvement in certified accuracy compared to current state-of-the-art methods. Our novel certification procedure allows us to use pre-trained models that are used with randomized smoothing, effectively improving the current certification radius in a zero-shot manner.  ( 2 min )

Model-based reinforcement learning (MBRL) holds the promise of sample-efficient learning by utilizing a world model, which models how the environment works and typically encompasses components for two tasks: observation modeling and reward modeling. In this paper, through a dedicated empirical investigation, we gain a deeper understanding of the role each task plays in world models and uncover the overlooked potential of sample-efficient MBRL by mitigating the domination of either observation or reward modeling. Our key insight is that while prevalent approaches of explicit MBRL attempt to restore abundant details of the environment via observation models, it is difficult due to the environment's complexity and limited model capacity. On the other hand, reward models, while dominating implicit MBRL and adept at learning compact task-centric dynamics, are inadequate for sample-efficient learning without richer learning signals. Motivated by these insights and discoveries, we propose a simple yet effective approach, HarmonyDream, which automatically adjusts loss coefficients to maintain task harmonization, i.e. a dynamic equilibrium between the two tasks in world model learning. Our experiments show that the base MBRL method equipped with HarmonyDream gains 10%-69% absolute performance boosts on visual robotic tasks and sets a new state-of-the-art result on the Atari 100K benchmark.  ( 2 min )

In recent years, two competitive time series classification models, namely, ROCKET and MINIROCKET, have garnered considerable attention due to their low training cost and high accuracy. However, they require a large number of random 1-D convolutional kernels to comprehensively capture features, which is incompatible with resource-constrained devices. Despite the development of heuristic algorithms designed to recognize and prune redundant kernels, the inherent time-consuming nature of evolutionary algorithms hinders efficient evaluation. To effectively prune models, this paper removes redundant random kernels from a feature selection perspective by eliminating associating connections in the sequential classifier. Two innovative algorithms are proposed, where the first ADMM-based algorithm formulates the pruning challenge as a group elastic net classification problem, and the second core algorithm named P-ROCKET greatly accelerates the first one by bifurcating the problem into two sequential stages. Stage 1 of P-ROCKET introduces dynamically varying penalties to efficiently implement group-level regularization to delete redundant kernels, and Stage 2 employs element-level regularization on the remaining features to refit a linear classifier for better performance. Experimental results on diverse time series datasets show that P-ROCKET prunes up to 60% of kernels without a significant reduction in accuracy and performs 11 times faster than its counterparts. Our code is publicly available at https://github.com/ShaowuChen/P-ROCKET.  ( 3 min )

Deep Nonnegative Matrix Factorization (deep NMF) has recently emerged as a valuable technique for extracting multiple layers of features across different scales. However, all existing deep NMF models and algorithms have primarily centered their evaluation on the least squares error, which may not be the most appropriate metric for assessing the quality of approximations on diverse datasets. For instance, when dealing with data types such as audio signals and documents, it is widely acknowledged that $\beta$-divergences offer a more suitable alternative. In this paper, we develop new models and algorithms for deep NMF using some $\beta$-divergences, with a focus on the Kullback-Leibler divergence. Subsequently, we apply these techniques to the extraction of facial features, the identification of topics within document collections, and the identification of materials within hyperspectral images.  ( 2 min )

Energy prediction in buildings plays a crucial role in effective energy management. Precise predictions are essential for achieving optimal energy consumption and distribution within the grid. This paper introduces a Long Short-Term Memory (LSTM) model designed to forecast building energy consumption using historical energy data, occupancy patterns, and weather conditions. The LSTM model provides accurate short, medium, and long-term energy predictions for residential and commercial buildings compared to existing prediction models. We compare our LSTM model with established prediction methods, including linear regression, decision trees, and random forest. Encouragingly, the proposed LSTM model emerges as the superior performer across all metrics. It demonstrates exceptional prediction accuracy, boasting the highest R2 score of 0.97 and the most favorable mean absolute error (MAE) of 0.007. An additional advantage of our developed model is its capacity to achieve efficient energy consumption forecasts even when trained on a limited dataset. We address concerns about overfitting (variance) and underfitting (bias) through rigorous training and evaluation on real-world data. In summary, our research contributes to energy prediction by offering a robust LSTM model that outperforms alternative methods and operates with remarkable efficiency, generalizability, and reliability.  ( 3 min )

Quantization emerges as one of the most promising approaches for deploying advanced deep models on resource-constrained hardware. Mixed-precision quantization leverages multiple bit-width architectures to unleash the accuracy and efficiency potential of quantized models. However, existing mixed-precision quantization suffers exhaustive search space that causes immense computational overhead. The quantization process thus relies on separate high-performance devices rather than locally, which also leads to a significant gap between the considered hardware metrics and the real deployment.In this paper, we propose an On-chip Hardware-aware Quantization (OHQ) framework that performs hardware-aware mixed-precision quantization without accessing online devices. First, we construct the On-chip Quantization Awareness (OQA) pipeline, enabling perceive the actual efficiency metrics of the quantization operator on the hardware.Second, we propose Mask-guided Quantization Estimation (MQE) technique to efficiently estimate the accuracy metrics of operators under the constraints of on-chip-level computing power.By synthesizing network and hardware insights through linear programming, we obtain optimized bit-width configurations. Notably, the quantization process occurs on-chip entirely without any additional computing devices and data access. We demonstrate accelerated inference after quantization for various architectures and compression ratios, achieving 70% and 73% accuracy for ResNet-18 and MobileNetV3, respectively. OHQ improves latency by 15~30% compared to INT8 on deployment.  ( 2 min )

Aligning large language models (LLMs) with human values and intents critically involves the use of human or AI feedback. While dense feedback annotations are expensive to acquire and integrate, sparse feedback presents a structural design choice between ratings (e.g., score Response A on a scale of 1-7) and rankings (e.g., is Response A better than Response B?). In this work, we analyze the effect of this design choice for the alignment and evaluation of LLMs. We uncover an inconsistency problem wherein the preferences inferred from ratings and rankings significantly disagree 60% for both human and AI annotators. Our subsequent analysis identifies various facets of annotator biases that explain this phenomena, such as human annotators would rate denser responses higher while preferring accuracy during pairwise judgments. To our surprise, we also observe that the choice of feedback protocol also has a significant effect on the evaluation of aligned LLMs. In particular, we find that LLMs that leverage rankings data for alignment (say model X) are preferred over those that leverage ratings data (say model Y), with a rank-based evaluation protocol (is X/Y's response better than reference response?) but not with a rating-based evaluation protocol (score Rank X/Y's response on a scale of 1-7). Our findings thus shed light on critical gaps in methods for evaluating the real-world utility of language models and their strong dependence on the feedback protocol used for alignment. Our code and data are available at https://github.com/Hritikbansal/sparse_feedback.  ( 3 min )

Large language models have made significant strides in natural language processing, enabling innovative applications in molecular science by processing textual representations of molecules. However, most existing language models cannot capture the rich information with complex molecular structures or images. In this paper, we introduce GIT-Mol, a multi-modal large language model that integrates the Graph, Image, and Text information. To facilitate the integration of multi-modal molecular data, we propose GIT-Former, a novel architecture that is capable of aligning all modalities into a unified latent space. We achieve a 5%-10% accuracy increase in properties prediction and a 20.2% boost in molecule generation validity compared to the baselines. With the any-to-language molecular translation strategy, our model has the potential to perform more downstream tasks, such as compound name recognition and chemical reaction prediction.  ( 2 min )

Limited availability of labeled data for machine learning on multimodal time-series extensively hampers progress in the field. Self-supervised learning (SSL) is a promising approach to learning data representations without relying on labels. However, existing SSL methods require expensive computations of negative pairs and are typically designed for single modalities, which limits their versatility. We introduce CroSSL (Cross-modal SSL), which puts forward two novel concepts: masking intermediate embeddings produced by modality-specific encoders, and their aggregation into a global embedding through a cross-modal aggregator that can be fed to down-stream classifiers. CroSSL allows for handling missing modalities and end-to-end cross-modal learning without requiring prior data preprocessing for handling missing inputs or negative-pair sampling for contrastive learning. We evaluate our method on a wide range of data, including motion sensors such as accelerometers or gyroscopes and biosignals (heart rate, electroencephalograms, electromyograms, electrooculograms, and electrodermal) to investigate the impact of masking ratios and masking strategies for various data types and the robustness of the learned representations to missing data. Overall, CroSSL outperforms previous SSL and supervised benchmarks using minimal labeled data, and also sheds light on how latent masking can improve cross-modal learning. Our code is open-sourced a https://github.com/dr-bell/CroSSL  ( 2 min )

The general sequential decision-making problem, which includes Markov decision processes (MDPs) and partially observable MDPs (POMDPs) as special cases, aims at maximizing a cumulative reward by making a sequence of decisions based on a history of observations and actions over time. Recent studies have shown that the sequential decision-making problem is statistically learnable if it admits a low-rank structure modeled by predictive state representations (PSRs). Despite these advancements, existing approaches typically involve oracles or steps that are computationally intractable. On the other hand, the upper confidence bound (UCB) based approaches, which have served successfully as computationally efficient methods in bandits and MDPs, have not been investigated for more general PSRs, due to the difficulty of optimistic bonus design in these more challenging settings. This paper proposes the first known UCB-type approach for PSRs, featuring a novel bonus term that upper bounds the total variation distance between the estimated and true models. We further characterize the sample complexity bounds for our designed UCB-type algorithms for both online and offline PSRs. In contrast to existing approaches for PSRs, our UCB-type algorithms enjoy computational tractability, last-iterate guaranteed near-optimal policy, and guaranteed model accuracy.  ( 2 min )

Many processes in biology and drug discovery involve various 3D interactions between molecules, such as protein and protein, protein and small molecule, etc. Given that different molecules are usually represented in different granularity, existing methods usually encode each type of molecules independently with different models, leaving it defective to learn the universal underlying interaction physics. In this paper, we first propose to universally represent an arbitrary 3D complex as a geometric graph of sets, shedding light on encoding all types of molecules with one model. We then propose a Generalist Equivariant Transformer (GET) to effectively capture both domain-specific hierarchies and domain-agnostic interaction physics. To be specific, GET consists of a bilevel attention module, a feed-forward module and a layer normalization module, where each module is E(3) equivariant and specialized for handling sets of variable sizes. Notably, in contrast to conventional pooling-based hierarchical models, our GET is able to retain fine-grained information of all levels. Extensive experiments on the interactions between proteins, small molecules and RNA/DNAs verify the effectiveness and generalization capability of our proposed method across different domains.  ( 2 min )

Federated Learning (FL) is a machine learning paradigm that enables clients to jointly train a global model by aggregating the locally trained models without sharing any local training data. In practice, there can often be substantial heterogeneity (e.g., class imbalance) across the local data distributions observed by each of these clients. Under such non-iid data distributions across clients, FL suffers from the 'client-drift' problem where every client drifts to its own local optimum. This results in slower convergence and poor performance of the aggregated model. To address this limitation, we propose a novel regularization technique based on adaptive self-distillation (ASD) for training models on the client side. Our regularization scheme adaptively adjusts to the client's training data based on the global model entropy and the client's label distribution. The proposed regularization can be easily integrated atop existing, state-of-the-art FL algorithms, leading to a further boost in the performance of these off-the-shelf methods. We theoretically explain how ASD reduces client-drift and also explain its generalization ability. We demonstrate the efficacy of our approach through extensive experiments on multiple real-world benchmarks and show substantial gains in performance over state-of-the-art methods.  ( 2 min )

We prove an inverse approximation theorem for the approximation of nonlinear sequence-to-sequence relationships using recurrent neural networks (RNNs). This is a so-called Bernstein-type result in approximation theory, which deduces properties of a target function under the assumption that it can be effectively approximated by a hypothesis space. In particular, we show that nonlinear sequence relationships that can be stably approximated by nonlinear RNNs must have an exponential decaying memory structure - a notion that can be made precise. This extends the previously identified curse of memory in linear RNNs into the general nonlinear setting, and quantifies the essential limitations of the RNN architecture for learning sequential relationships with long-term memory. Based on the analysis, we propose a principled reparameterization method to overcome the limitations. Our theoretical results are confirmed by numerical experiments. The code has been released in https://github.com/radarFudan/Curse-of-memory  ( 2 min )

Suppose we want to train text prediction models in email clients or word processors. These models, which serve billions of predictions per hour, must preserve the privacy of user data and adhere to specific model size constraints to meet memory, inference time requirements, and to reduce inference cost. Building small, fast, and private domain-specific language models is a thriving area of research. In this work, we show that a careful pre-training on a {\em subset} of the public dataset that is guided by the private dataset is crucial to train small DP language models. On standard benchmarks, models trained with our new framework achieve state-of-the-art performance, improving upon all the baselines from the literature. Besides performance improvements, our framework also shows that with careful pre-training and private fine-tuning, smaller models can match the performance of much larger models that do not have access to private data, highlighting the promise of private learning as a tool for model compression and efficiency. In many applications such as health care, finance, etc., private datasets are usually of much higher quality than public datasets, and our work shows novel ways of utilizing private datasets at all the stages of training pipe-line to improve deep learning efficiency. Language models based on our framework have been used in multiple real-world deployments serving billions of predictions per day (and saving millions of dollars in terms of inference cost) highlighting the general applicability of our framework beyond academic benchmarks.  ( 3 min )

We investigate size-induced distribution shifts in graphs and assess their impact on the ability of graph neural networks (GNNs) to generalize to larger graphs relative to the training data. Existing literature presents conflicting conclusions on GNNs' size generalizability, primarily due to disparities in application domains and underlying assumptions concerning size-induced distribution shifts. Motivated by this, we take a data-driven approach: we focus on real biological datasets and seek to characterize the types of size-induced distribution shifts. Diverging from prior approaches, we adopt a spectral perspective and identify that spectrum differences induced by size are related to differences in subgraph patterns (e.g., average cycle lengths). While previous studies have identified that the inability of GNNs in capturing subgraph information negatively impacts their in-distribution generalization, our findings further show that this decline is more pronounced when evaluating on larger test graphs not encountered during training. Based on these spectral insights, we introduce a simple yet effective model-agnostic strategy, which makes GNNs aware of these important subgraph patterns to enhance their size generalizability. Our empirical results reveal that our proposed size-insensitive attention strategy substantially enhances graph classification performance on large test graphs, which are 2-10 times larger than the training graphs, resulting in an improvement in F1 scores by up to 8%.  ( 3 min )

Viewing Transformers as interacting particle systems, we describe the geometry of learned representations when the weights are not time dependent. We show that particles, representing tokens, tend to cluster toward particular limiting objects as time tends to infinity. Cluster locations are determined by the initial tokens, confirming context-awareness of representations learned by Transformers. Using techniques from dynamical systems and partial differential equations, we show that the type of limiting object that emerges depends on the spectrum of the value matrix. Additionally, in the one-dimensional case we prove that the self-attention matrix converges to a low-rank Boolean matrix. The combination of these results mathematically confirms the empirical observation made by Vaswani et al. [VSP'17] that leaders appear in a sequence of tokens when processed by Transformers.  ( 2 min )

We study $K$-armed bandit problems where the reward distributions of the arms are all supported on the $[0,1]$ interval. It has been a challenge to design regret-efficient randomized exploration algorithms in this setting. Maillard sampling~\cite{maillard13apprentissage}, an attractive alternative to Thompson sampling, has recently been shown to achieve competitive regret guarantees in the sub-Gaussian reward setting~\cite{bian2022maillard} while maintaining closed-form action probabilities, which is useful for offline policy evaluation. In this work, we propose the Kullback-Leibler Maillard Sampling (KL-MS) algorithm, a natural extension of Maillard sampling for achieving KL-style gap-dependent regret bound. We show that KL-MS enjoys the asymptotic optimality when the rewards are Bernoulli and has a worst-case regret bound of the form $O(\sqrt{\mu^*(1-\mu^*) K T \ln K} + K \ln T)$, where $\mu^*$ is the expected reward of the optimal arm, and $T$ is the time horizon length.  ( 2 min )

Molecule generation is a very important practical problem, with uses in drug discovery and material design, and AI methods promise to provide useful solutions. However, existing methods for molecule generation focus either on 2D graph structure or on 3D geometric structure, which is not sufficient to represent a complete molecule as 2D graph captures mainly topology while 3D geometry captures mainly spatial atom arrangements. Combining these representations is essential to better represent a molecule. In this paper, we present a new model for generating a comprehensive representation of molecules, including atom features, 2D discrete molecule structures, and 3D continuous molecule coordinates, by combining discrete and continuous diffusion processes. The use of diffusion processes allows for capturing the probabilistic nature of molecular processes and exploring the effect of different factors on molecular structures. Additionally, we propose a novel graph transformer architecture to denoise the diffusion process. The transformer adheres to 3D roto-translation equivariance constraints, allowing it to learn invariant atom and edge representations while preserving the equivariance of atom coordinates. This transformer can be used to learn molecular representations robust to geometric transformations. We evaluate the performance of our model through experiments and comparisons with existing methods, showing its ability to generate more stable and valid molecules. Our model is a promising approach for designing stable and diverse molecules and can be applied to a wide range of tasks in molecular modeling.  ( 3 min )

Graph-based representations and weight-sharing modular policies constitute prominent approaches to tackling composable control problems in Reinforcement Learning (RL). However, as shown by recent graph deep learning literature, message-passing operators can create bottlenecks in information propagation and hinder global coordination. The issue becomes dramatic in tasks where high-level planning is needed. In this work, we propose a novel methodology, named Feudal Graph Reinforcement Learning (FGRL), that addresses such challenges by relying on hierarchical RL and a pyramidal message-passing architecture. In particular, FGRL defines a hierarchy of policies where high-level commands are propagated from the top of the hierarchy down through a layered graph structure. The bottom layers mimic the morphology of the physical system, while the upper layers capture more abstract sub-modules. The resulting agents are then characterized by a committee of policies where actions at a certain level set goals for the level below, thus implementing a hierarchical decision-making structure that encompasses task decomposition. We evaluate the proposed framework on locomotion tasks on benchmark MuJoCo environments and show that FGRL compares favorably against relevant baselines. Furthermore, an in-depth analysis of the command propagation mechanism provides evidence that the introduced message-passing scheme favors the learning of hierarchical decision-making policies.  ( 2 min )

Models trained on one set of domains often suffer performance drops on unseen domains, e.g., when wildlife monitoring models are deployed in new camera locations. In this work, we study principles for designing data augmentations for out-of-domain (OOD) generalization. In particular, we focus on real-world scenarios in which some domain-dependent features are robust, i.e., some features that vary across domains are predictive OOD. For example, in the wildlife monitoring application above, image backgrounds vary across camera locations but indicate habitat type, which helps predict the species of photographed animals. Motivated by theoretical analysis on a linear setting, we propose targeted augmentations, which selectively randomize spurious domain-dependent features while preserving robust ones. We prove that targeted augmentations improve OOD performance, allowing models to generalize better with fewer domains. In contrast, existing approaches such as generic augmentations, which fail to randomize domain-dependent features, and domain-invariant augmentations, which randomize all domain-dependent features, both perform poorly OOD. In experiments on three real-world datasets, we show that targeted augmentations set new states-of-the-art for OOD performance by 3.2-15.2 percentage points.  ( 2 min )

We consider a bandit recommendations problem in which an agent's preferences (representing selection probabilities over recommended items) evolve as a function of past selections, according to an unknown $\textit{preference model}$. In each round, we show a menu of $k$ items (out of $n$ total) to the agent, who then chooses a single item, and we aim to minimize regret with respect to some $\textit{target set}$ (a subset of the item simplex) for adversarial losses over the agent's choices. Extending the setting from Agarwal and Brown (2022), where uniform-memory agents were considered, here we allow for non-uniform memory in which a discount factor is applied to the agent's memory vector at each subsequent round. In the "long-term memory" regime (when the effective memory horizon scales with $T$ sublinearly), we show that efficient sublinear regret is obtainable with respect to the set of $\textit{everywhere instantaneously realizable distributions}$ (the "EIRD set", as formulated in prior work) for any $\textit{smooth}$ preference model. Further, for preferences which are bounded above and below by linear functions of memory weight (we call these "scale-bounded" preferences) we give an algorithm which obtains efficient sublinear regret with respect to nearly the $\textit{entire}$ item simplex. We show an NP-hardness result for expanding to targets beyond EIRD in general. In the "short-term memory" regime (when the memory horizon is constant), we show that scale-bounded preferences again enable efficient sublinear regret for nearly the entire simplex even without smoothness if losses do not change too frequently, yet we show an information-theoretic barrier for competing against the EIRD set under arbitrary smooth preference models even when losses are constant.  ( 3 min )

Markov Chain Monte Carlo methods for sampling from complex distributions and estimating normalization constants often simulate samples from a sequence of intermediate distributions along an annealing path, which bridges between a tractable initial distribution and a target density of interest. Prior works have constructed annealing paths using quasi-arithmetic means, and interpreted the resulting intermediate densities as minimizing an expected divergence to the endpoints. To analyze these variational representations of annealing paths, we extend known results showing that the arithmetic mean over arguments minimizes the expected Bregman divergence to a single representative point. In particular, we obtain an analogous result for quasi-arithmetic means, when the inputs to the Bregman divergence are transformed under a monotonic embedding function. Our analysis highlights the interplay between quasi-arithmetic means, parametric families, and divergence functionals using the rho-tau representational Bregman divergence framework, and associates common divergence functionals with intermediate densities along an annealing path.  ( 2 min )

To cope with real-world dynamics, an intelligent system needs to incrementally acquire, update, accumulate, and exploit knowledge throughout its lifetime. This ability, known as continual learning, provides a foundation for AI systems to develop themselves adaptively. In a general sense, continual learning is explicitly limited by catastrophic forgetting, where learning a new task usually results in a dramatic performance degradation of the old tasks. Beyond this, increasingly numerous advances have emerged in recent years that largely extend the understanding and application of continual learning. The growing and widespread interest in this direction demonstrates its realistic significance as well as complexity. In this work, we present a comprehensive survey of continual learning, seeking to bridge the basic settings, theoretical foundations, representative methods, and practical applications. Based on existing theoretical and empirical results, we summarize the general objectives of continual learning as ensuring a proper stability-plasticity trade-off and an adequate intra/inter-task generalizability in the context of resource efficiency. Then we provide a state-of-the-art and elaborated taxonomy, extensively analyzing how representative methods address continual learning, and how they are adapted to particular challenges in realistic applications. Through an in-depth discussion of promising directions, we believe that such a holistic perspective can greatly facilitate subsequent exploration in this field and beyond.  ( 3 min )

Contrastive learning is an effective unsupervised method in graph representation learning, and the key component of contrastive learning lies in the construction of positive and negative samples. Previous methods usually utilize the proximity of nodes in the graph as the principle. Recently, the data-augmentation-based contrastive learning method has advanced to show great power in the visual domain, and some works extended this method from images to graphs. However, unlike the data augmentation on images, the data augmentation on graphs is far less intuitive and much harder to provide high-quality contrastive samples, which leaves much space for improvement. In this work, by introducing an adversarial graph view for data augmentation, we propose a simple but effective method, Adversarial Graph Contrastive Learning (ARIEL), to extract informative contrastive samples within reasonable constraints. We develop a new technique called information regularization for stable training and use subgraph sampling for scalability. We generalize our method from node-level contrastive learning to the graph level by treating each graph instance as a super-node. ARIEL consistently outperforms the current graph contrastive learning methods for both node-level and graph-level classification tasks on real-world datasets. We further demonstrate that ARIEL is more robust in the face of adversarial attacks.  ( 2 min )

Concept-based interpretations of black-box models are often more intuitive for humans to understand. The most widely adopted approach for concept-based interpretation is Concept Activation Vector (CAV). CAV relies on learning a linear relation between some latent representation of a given model and concepts. The linear separability is usually implicitly assumed but does not hold true in general. In this work, we started from the original intent of concept-based interpretation and proposed Concept Gradient (CG), extending concept-based interpretation beyond linear concept functions. We showed that for a general (potentially non-linear) concept, we can mathematically evaluate how a small change of concept affecting the model's prediction, which leads to an extension of gradient-based interpretation to the concept space. We demonstrated empirically that CG outperforms CAV in both toy examples and real world datasets.  ( 2 min )

Distribution comparison plays a central role in many machine learning tasks like data classification and generative modeling. In this study, we propose a novel metric, called Hilbert curve projection (HCP) distance, to measure the distance between two probability distributions with low complexity. In particular, we first project two high-dimensional probability distributions using Hilbert curve to obtain a coupling between them, and then calculate the transport distance between these two distributions in the original space, according to the coupling. We show that HCP distance is a proper metric and is well-defined for probability measures with bounded supports. Furthermore, we demonstrate that the modified empirical HCP distance with the $L_p$ cost in the $d$-dimensional space converges to its population counterpart at a rate of no more than $O(n^{-1/2\max\{d,p\}})$. To suppress the curse-of-dimensionality, we also develop two variants of the HCP distance using (learnable) subspace projections. Experiments on both synthetic and real-world data show that our HCP distance works as an effective surrogate of the Wasserstein distance with low complexity and overcomes the drawbacks of the sliced Wasserstein distance.  ( 2 min )

We consider the problem of federated learning in a one-shot setting in which there are $m$ machines, each observing $n$ sample functions from an unknown distribution on non-convex loss functions. Let $F:[-1,1]^d\to\mathbb{R}$ be the expected loss function with respect to this unknown distribution. The goal is to find an estimate of the minimizer of $F$. Based on its observations, each machine generates a signal of bounded length $B$ and sends it to a server. The server collects signals of all machines and outputs an estimate of the minimizer of $F$. We show that the expected loss of any algorithm is lower bounded by $\max\big(1/(\sqrt{n}(mB)^{1/d}), 1/\sqrt{mn}\big)$, up to a logarithmic factor. We then prove that this lower bound is order optimal in $m$ and $n$ by presenting a distributed learning algorithm, called Multi-Resolution Estimator for Non-Convex loss function (MRE-NC), whose expected loss matches the lower bound for large $mn$ up to polylogarithmic factors.  ( 2 min )

Training neural networks usually require large numbers of sensitive training data, and how to protect the privacy of training data has thus become a critical topic in deep learning research. InstaHide is a state-of-the-art scheme to protect training data privacy with only minor effects on test accuracy, and its security has become a salient question. In this paper, we systematically study recent attacks on InstaHide and present a unified framework to understand and analyze these attacks. We find that existing attacks either do not have a provable guarantee or can only recover a single private image. On the current InstaHide challenge setup, where each InstaHide image is a mixture of two private images, we present a new algorithm to recover all the private images with a provable guarantee and optimal sample complexity. In addition, we also provide a computational hardness result on retrieving all InstaHide images. Our results demonstrate that InstaHide is not information-theoretically secure but computationally secure in the worst case, even when mixing two private images.  ( 2 min )

We describe and study a transport based procedure called NetOTC (network optimal transition coupling) for the comparison and alignment of two networks. The networks of interest may be directed or undirected, weighted or unweighted, and may have distinct vertex sets of different sizes. Given two networks and a cost function relating their vertices, NetOTC finds a transition coupling of their associated random walks having minimum expected cost. The minimizing cost quantifies the difference between the networks, while the optimal transport plan itself provides alignments of both the vertices and the edges of the two networks. Coupling of the full random walks, rather than their marginal distributions, ensures that NetOTC captures local and global information about the networks, and preserves edges. NetOTC has no free parameters, and does not rely on randomization. We investigate a number of theoretical properties of NetOTC and present experiments establishing its empirical performance.  ( 2 min )

Outsourcing deep neural networks (DNNs) inference tasks to an untrusted cloud raises data privacy and integrity concerns. While there are many techniques to ensure privacy and integrity for polynomial-based computations, DNNs involve non-polynomial computations. To address these challenges, several privacy-preserving and verifiable inference techniques have been proposed based on replacing the non-polynomial activation functions such as the rectified linear unit (ReLU) function with polynomial activation functions. Such techniques usually require polynomials with integer coefficients or polynomials over finite fields. Motivated by such requirements, several works proposed replacing the ReLU function with the square function. In this work, we empirically show that the square function is not the best degree-2 polynomial that can replace the ReLU function even when restricting the polynomials to have integer coefficients. We instead propose a degree-2 polynomial activation function with a first order term and empirically show that it can lead to much better models. Our experiments on the CIFAR and Tiny ImageNet datasets on various architectures such as VGG-16 show that our proposed function improves the test accuracy by up to 10.4% compared to the square function.  ( 3 min )

We propose a framework for learning calibrated uncertainties under domain shifts, where the source (training) distribution differs from the target (test) distribution. We detect such domain shifts via a differentiable density ratio estimator and train it together with the task network, composing an adjusted softmax predictive form concerning domain shift. In particular, the density ratio estimation reflects the closeness of a target (test) sample to the source (training) distribution. We employ it to adjust the uncertainty of prediction in the task network. This idea of using the density ratio is based on the distributionally robust learning (DRL) framework, which accounts for the domain shift by adversarial risk minimization. We show that our proposed method generates calibrated uncertainties that benefit downstream tasks, such as unsupervised domain adaptation (UDA) and semi-supervised learning (SSL). On these tasks, methods like self-training and FixMatch use uncertainties to select confident pseudo-labels for re-training. Our experiments show that the introduction of DRL leads to significant improvements in cross-domain performance. We also show that the estimated density ratios align with human selection frequencies, suggesting a positive correlation with a proxy of human perceived uncertainties.  ( 3 min )

Intelligent agents powered by large language models (LLMs) have demonstrated substantial promise in autonomously conducting experiments and facilitating scientific discoveries across various disciplines. While their capabilities are promising, they also introduce novel vulnerabilities that demand careful consideration for safety. However, there exists a notable gap in the literature, as there has been no comprehensive exploration of these vulnerabilities. This position paper fills this gap by conducting a thorough examination of vulnerabilities in LLM-based agents within scientific domains, shedding light on potential risks associated with their misuse and emphasizing the need for safety measures. We begin by providing a comprehensive overview of the potential risks inherent to scientific LLM agents, taking into account user intent, the specific scientific domain, and their potential impact on the external environment. Then, we delve into the origins of these vulnerabilities and provide a scoping review of the limited existing works. Based on our analysis, we propose a triadic framework involving human regulation, agent alignment, and an understanding of environmental feedback (agent regulation) to mitigate these identified risks. Furthermore, we highlight the limitations and challenges associated with safeguarding scientific agents and advocate for the development of improved models, robust benchmarks, and comprehensive regulations to address these issues effectively.  ( 2 min )

In recent years, few-shot learning problems have received a lot of attention. While methods in most previous works were trained and tested on datasets in one single domain, cross-domain few-shot learning is a brand-new branch of few-shot learning problems, where models handle datasets in different domains between training and testing phases. In this paper, to solve the problem that the model is pre-trained (meta-trained) on a single dataset while fine-tuned on datasets in four different domains, including common objects, satellite images, and medical images, we propose a novel large margin fine-tuning method (LMM-PQS), which generates pseudo query images from support images and fine-tunes the feature extraction modules with a large margin mechanism inspired by methods in face recognition. According to the experiment results, LMM-PQS surpasses the baseline models by a significant margin and demonstrates that our approach is robust and can easily adapt pre-trained models to new domains with few data.  ( 2 min )

Backhaul traffic congestion caused by the video traffic of a few popular files can be alleviated by storing the to-be-requested content at various levels in wireless video caching networks. Typically, content service providers (CSPs) own the content, and the users request their preferred content from the CSPs using their (wireless) internet service providers (ISPs). As these parties do not reveal their private information and business secrets, traditional techniques may not be readily used to predict the dynamic changes in users' future demands. Motivated by this, we propose a novel resource-aware hierarchical federated learning (RawHFL) solution for predicting user's future content requests. A practical data acquisition technique is used that allows the user to update its local training dataset based on its requested content. Besides, since networking and other computational resources are limited, considering that only a subset of the users participate in the model training, we derive the convergence bound of the proposed algorithm. Based on this bound, we minimize a weighted utility function for jointly configuring the controllable parameters to train the RawHFL energy efficiently under practical resource constraints. Our extensive simulation results validate the proposed algorithm's superiority, in terms of test accuracy and energy cost, over existing baselines.  ( 2 min )

Scaling laws provide important insights that can guide the design of large language models (LLMs). Existing work has primarily focused on studying scaling laws for pretraining (upstream) loss. However, in transfer learning settings, in which LLMs are pretrained on an unsupervised dataset and then finetuned on a downstream task, we often also care about the downstream performance. In this work, we study the scaling behavior in a transfer learning setting, where LLMs are finetuned for machine translation tasks. Specifically, we investigate how the choice of the pretraining data and its size affect downstream performance (translation quality) as judged by two metrics: downstream cross-entropy and BLEU score. Our experiments indicate that the size of the finetuning dataset and the distribution alignment between the pretraining and downstream data significantly influence the scaling behavior. With sufficient alignment, both downstream cross-entropy and BLEU score improve monotonically with more pretraining data. In such cases, we show that it is possible to predict the downstream BLEU score with good accuracy using a log-law. However, there are also cases where moderate misalignment causes the BLEU score to fluctuate or get worse with more pretraining, whereas downstream cross-entropy monotonically improves. By analyzing these observations, we provide new practical insights for choosing appropriate pretraining data.  ( 2 min )

With the advent of artificial intelligence (AI) and machine learning (ML), various domains of science and engineering communites has leveraged data-driven surrogates to model complex systems from numerous sources of information (data). The proliferation has led to significant reduction in cost and time involved in development of superior systems designed to perform specific functionalities. A high proposition of such surrogates are built extensively fusing multiple sources of data, may it be published papers, patents, open repositories, or other resources. However, not much attention has been paid to the differences in quality and comprehensiveness of the known and unknown underlying physical parameters of the information sources that could have downstream implications during system optimization. Towards resolving this issue, a multi-source data fusion framework based on Latent Variable Gaussian Process (LVGP) is proposed. The individual data sources are tagged as a characteristic categorical variable that are mapped into a physically interpretable latent space, allowing the development of source-aware data fusion modeling. Additionally, a dissimilarity metric based on the latent variables of LVGP is introduced to study and understand the differences in the sources of data. The proposed approach is demonstrated on and analyzed through two mathematical (representative parabola problem, 2D Ackley function) and two materials science (design of FeCrAl and SmCoFe alloys) case studies. From the case studies, it is observed that compared to using single-source and source unaware ML models, the proposed multi-source data fusion framework can provide better predictions for sparse-data problems, interpretability regarding the sources, and enhanced modeling capabilities by taking advantage of the correlations and relationships among different sources.  ( 3 min )

Developing a generalist agent is a longstanding objective in artificial intelligence. Previous efforts utilizing extensive offline datasets from various tasks demonstrate remarkable performance in multitasking scenarios within Reinforcement Learning.However, these works encounter challenges in extending their capabilities to new tasks.Recent approaches integrate textual guidance or visual trajectory into decision networks to provide task-specific contextual cues, representing a promising direction.However, it is observed that relying solely on textual guidance or visual trajectory is insufficient for accurately conveying the contextual information of tasks.This paper explores enhanced forms of task guidance for agents, enabling them to comprehend gameplay instructions, thereby facilitating a "read-to-play" capability.Drawing inspiration from the success of multimodal instruction tuning in visual tasks, we treat the visual-based RL task as a long-horizon vision task and construct a set of multimodal game instructions to incorporate instruction tuning into a decision transformer.Experimental results demonstrate that incorporating multimodal game instructions significantly enhances the decision transformer's multitasking and generalization capabilities.  ( 2 min )

In this paper, we perform a non-asymptotic analysis of the federated linear stochastic approximation (FedLSA) algorithm. We explicitly quantify the bias introduced by local training with heterogeneous agents, and investigate the sample complexity of the algorithm. We show that the communication complexity of FedLSA scales polynomially with the desired precision $\epsilon$, which limits the benefits of federation. To overcome this, we propose SCAFFLSA, a novel variant of FedLSA, that uses control variates to correct the bias of local training, and prove its convergence without assumptions on statistical heterogeneity. We apply the proposed methodology to federated temporal difference learning with linear function approximation, and analyze the corresponding complexity improvements.  ( 2 min )

The dominance of social media has added to the channels of bullying for perpetrators. Unfortunately, cyberbullying (CB) is the most prevalent phenomenon in todays cyber world, and is a severe threat to the mental and physical health of citizens. This opens the need to develop a robust system to prevent bullying content from online forums, blogs, and social media platforms to manage the impact in our society. Several machine learning (ML) algorithms have been proposed for this purpose. However, their performances are not consistent due to high class imbalance and generalisation issues. In recent years, large language models (LLMs) like BERT and RoBERTa have achieved state-of-the-art (SOTA) results in several natural language processing (NLP) tasks. Unfortunately, the LLMs have not been applied extensively for CB detection. In our paper, we explored the use of these models for cyberbullying (CB) detection. We have prepared a new dataset (D2) from existing studies (Formspring and Twitter). Our experimental results for dataset D1 and D2 showed that RoBERTa outperformed other models.  ( 2 min )

Autonomous robots exploring unknown areas face a significant challenge -- navigating effectively without prior maps and with limited external feedback. This challenge intensifies in sparse reward environments, where traditional exploration techniques often fail. In this paper, we introduce TopoNav, a novel framework that empowers robots to overcome these constraints and achieve efficient, adaptable, and goal-oriented exploration. TopoNav's fundamental building blocks are active topological mapping, intrinsic reward mechanisms, and hierarchical objective prioritization. Throughout its exploration, TopoNav constructs a dynamic topological map that captures key locations and pathways. It utilizes intrinsic rewards to guide the robot towards designated sub-goals within this map, fostering structured exploration even in sparse reward settings. To ensure efficient navigation, TopoNav employs the Hierarchical Objective-Driven Active Topologies framework, enabling the robot to prioritize immediate tasks like obstacle avoidance while maintaining focus on the overall goal. We demonstrate TopoNav's effectiveness in simulated environments that replicate real-world conditions. Our results reveal significant improvements in exploration efficiency, navigational accuracy, and adaptability to unforeseen obstacles, showcasing its potential to revolutionize autonomous exploration in a wide range of applications, including search and rescue, environmental monitoring, and planetary exploration.  ( 2 min )

Contrastive Language-Image Pretraining (CLIP) has gained popularity for its remarkable zero-shot capacity. Recent research has focused on developing efficient fine-tuning methods, such as prompt learning and adapter, to enhance CLIP's performance in downstream tasks. However, these methods still require additional training time and computational resources, which is undesirable for devices with limited resources. In this paper, we revisit a classical algorithm, Gaussian Discriminant Analysis (GDA), and apply it to the downstream classification of CLIP. Typically, GDA assumes that features of each class follow Gaussian distributions with identical covariance. By leveraging Bayes' formula, the classifier can be expressed in terms of the class means and covariance, which can be estimated from the data without the need for training. To integrate knowledge from both visual and textual modalities, we ensemble it with the original zero-shot classifier within CLIP. Extensive results on 17 datasets validate that our method surpasses or achieves comparable results with state-of-the-art methods on few-shot classification, imbalanced learning, and out-of-distribution generalization. In addition, we extend our method to base-to-new generalization and unsupervised learning, once again demonstrating its superiority over competing approaches. Our code is publicly available at \url{https://github.com/mrflogs/ICLR24}.  ( 2 min )

Graph generation is integral to various engineering and scientific disciplines. Nevertheless, existing methodologies tend to overlook the generation of edge attributes. However, we identify critical applications where edge attributes are essential, making prior methods potentially unsuitable in such contexts. Moreover, while trivial adaptations are available, empirical investigations reveal their limited efficacy as they do not properly model the interplay among graph components. To address this, we propose a joint score-based model of nodes and edges for graph generation that considers all graph components. Our approach offers two key novelties: (i) node and edge attributes are combined in an attention module that generates samples based on the two ingredients; and (ii) node, edge and adjacency information are mutually dependent during the graph diffusion process. We evaluate our method on challenging benchmarks involving real-world and synthetic datasets in which edge features are crucial. Additionally, we introduce a new synthetic dataset that incorporates edge values. Furthermore, we propose a novel application that greatly benefits from the method due to its nature: the generation of traffic scenes represented as graphs. Our method outperforms other graph generation methods, demonstrating a significant advantage in edge-related measures.  ( 2 min )

Graph neural networks (GNNs) have gained popularity for various graph-related tasks. However, similar to deep neural networks, GNNs are also vulnerable to adversarial attacks. Empirical studies have shown that adversarially robust generalization has a pivotal role in establishing effective defense algorithms against adversarial attacks. In this paper, we contribute by providing adversarially robust generalization bounds for two kinds of popular GNNs, graph convolutional network (GCN) and message passing graph neural network, using the PAC-Bayesian framework. Our result reveals that spectral norm of the diffusion matrix on the graph and spectral norm of the weights as well as the perturbation factor govern the robust generalization bounds of both models. Our bounds are nontrivial generalizations of the results developed in (Liao et al., 2020) from the standard setting to adversarial setting while avoiding exponential dependence of the maximum node degree. As corollaries, we derive better PAC-Bayesian robust generalization bounds for GCN in the standard setting, which improve the bounds in (Liao et al., 2020) by avoiding exponential dependence on the maximum node degree.  ( 2 min )

The scarcity of available text corpora for low-resource languages like Albanian is a serious hurdle for research in natural language processing tasks. This paper introduces AlbNews, a collection of 600 topically labeled news headlines and 2600 unlabeled ones in Albanian. The data can be freely used for conducting topic modeling research. We report the initial classification scores of some traditional machine learning classifiers trained with the AlbNews samples. These results show that basic models outrun the ensemble learning ones and can serve as a baseline for future experiments.  ( 2 min )

This study introduces Polyp-DDPM, a diffusion-based method for generating realistic images of polyps conditioned on masks, aimed at enhancing the segmentation of gastrointestinal (GI) tract polyps. Our approach addresses the challenges of data limitations, high annotation costs, and privacy concerns associated with medical images. By conditioning the diffusion model on segmentation masks-binary masks that represent abnormal areas-Polyp-DDPM outperforms state-of-the-art methods in terms of image quality (achieving a Frechet Inception Distance (FID) score of 78.47, compared to scores above 83.79) and segmentation performance (achieving an Intersection over Union (IoU) of 0.7156, versus less than 0.6694 for synthetic images from baseline models and 0.7067 for real data). Our method generates a high-quality, diverse synthetic dataset for training, thereby enhancing polyp segmentation models to be comparable with real images and offering greater data augmentation capabilities to improve segmentation models. The source code and pretrained weights for Polyp-DDPM are made publicly available at https://github.com/mobaidoctor/polyp-ddpm.  ( 2 min )

It is well known that the state space (SS) model formulation of a Gaussian process (GP) can lower its training and prediction time both to O(n) for n data points. We prove that an $m$-dimensional SS model formulation of GP is equivalent to a concept we introduce as the general right Kernel Packet (KP): a transformation for the GP covariance function $K$ such that $\sum_{i=0}^{m}a_iD_t^{(j)}K(t,t_i)=0$ holds for any $t \leq t_1$, 0 $\leq j \leq m-1$, and $m+1$ consecutive points $t_i$, where ${D}_t^{(j)}f(t) $ denotes $j$-th order derivative acting on $t$. We extend this idea to the backward SS model formulation of the GP, leading to the concept of the left KP for next $m$ consecutive points: $\sum_{i=0}^{m}b_i{D}_t^{(j)}K(t,t_{m+i})=0$ for any $t\geq t_{2m}$. By combining both left and right KPs, we can prove that a suitable linear combination of these covariance functions yields $m$ compactly supported KP functions: $\phi^{(j)}(t)=0$ for any $t\not\in(t_0,t_{2m})$ and $j=0,\cdots,m-1$. KPs further reduces the prediction time of GP to O(log n) or even O(1) and can be applied to more general problems involving the derivative of GPs.  ( 2 min )

Orthogonal recurrent neural networks (ORNNs) are an appealing option for learning tasks involving time series with long-term dependencies, thanks to their simplicity and computational stability. However, these networks often require a substantial number of parameters to perform well, which can be prohibitive in power-constrained environments, such as compact devices. One approach to address this issue is neural network quantization. The construction of such networks remains an open problem, acknowledged for its inherent instability.In this paper, we explore the quantization of the recurrent and input weight matrices in ORNNs, leading to Quantized approximately Orthogonal RNNs (QORNNs). We investigate one post-training quantization (PTQ) strategy and three quantization-aware training (QAT) algorithms that incorporate orthogonal constraints and quantized weights. Empirical results demonstrate the advantages of employing QAT over PTQ. The most efficient model achieves results similar to state-of-the-art full-precision ORNN and LSTM on a variety of standard benchmarks, even with 3-bits quantization.  ( 2 min )

The Adaptive Momentum Estimation (Adam) algorithm is highly effective in training various deep learning tasks. Despite this, there's limited theoretical understanding for Adam, especially when focusing on its vanilla form in non-convex smooth scenarios with potential unbounded gradients and affine variance noise. In this paper, we study vanilla Adam under these challenging conditions. We introduce a comprehensive noise model which governs affine variance noise, bounded noise and sub-Gaussian noise. We show that Adam can find a stationary point with a $\mathcal{O}(\text{poly}(\log T)/\sqrt{T})$ rate in high probability under this general noise model where $T$ denotes total number iterations, matching the lower rate of stochastic first-order algorithms up to logarithm factors. More importantly, we reveal that Adam is free of tuning step-sizes with any problem-parameters, yielding a better adaptation property than the Stochastic Gradient Descent under the same conditions. We also provide a probabilistic convergence result for Adam under a generalized smooth condition which allows unbounded smoothness parameters and has been illustrated empirically to more accurately capture the smooth property of many practical objective functions.  ( 2 min )

We study the effect of the batch size to the total gradient variance in differentially private stochastic gradient descent (DP-SGD), seeking a theoretical explanation for the usefulness of large batch sizes. As DP-SGD is the basis of modern DP deep learning, its properties have been widely studied, and recent works have empirically found large batch sizes to be beneficial. However, theoretical explanations of this benefit are currently heuristic at best. We first observe that the total gradient variance in DP-SGD can be decomposed into subsampling-induced and noise-induced variances. We then prove that in the limit of an infinite number of iterations, the effective noise-induced variance is invariant to the batch size. The remaining subsampling-induced variance decreases with larger batch sizes, so large batches reduce the effective total gradient variance. We confirm numerically that the asymptotic regime is relevant in practical settings when the batch size is not small, and find that outside the asymptotic regime, the total gradient variance decreases even more with large batch sizes. We also find a sufficient condition that implies that large batch sizes similarly reduce effective DP noise variance for one iteration of DP-SGD.  ( 2 min )

Deep learning is closing the gap with humans on several object recognition benchmarks. Here we investigate this gap in the context of challenging images where objects are seen from unusual viewpoints. We find that humans excel at recognizing objects in unusual poses, in contrast with state-of-the-art pretrained networks (EfficientNet, SWAG, ViT, SWIN, BEiT, ConvNext) which are systematically brittle in this condition. Remarkably, as we limit image exposure time, human performance degrades to the level of deep networks, suggesting that additional mental processes (requiring additional time) take place when humans identify objects in unusual poses. Finally, our analysis of error patterns of humans vs. networks reveals that even time-limited humans are dissimilar to feed-forward deep networks. We conclude that more work is needed to bring computer vision systems to the level of robustness of the human visual system. Understanding the nature of the mental processes taking place during extra viewing time may be key to attain such robustness.  ( 2 min )

Spanning over two decades, the study of qubits in semiconductors for quantum computing has yielded significant breakthroughs. However, the development of large-scale semiconductor quantum circuits is still limited by challenges in efficiently tuning and operating these circuits. Identifying optimal operating conditions for these qubits is complex, involving the exploration of vast parameter spaces. This presents a real 'needle in the haystack' problem, which, until now, has resisted complete automation due to device variability and fabrication imperfections. In this study, we present the first fully autonomous tuning of a semiconductor qubit, from a grounded device to Rabi oscillations, a clear indication of successful qubit operation. We demonstrate this automation, achieved without human intervention, in a Ge/Si core/shell nanowire device. Our approach integrates deep learning, Bayesian optimization, and computer vision techniques. We expect this automation algorithm to apply to a wide range of semiconductor qubit devices, allowing for statistical studies of qubit quality metrics. As a demonstration of the potential of full automation, we characterise how the Rabi frequency and g-factor depend on barrier gate voltages for one of the qubits found by the algorithm. Twenty years after the initial demonstrations of spin qubit operation, this significant advancement is poised to finally catalyze the operation of large, previously unexplored quantum circuits.  ( 3 min )

Large language models (LLMs) have recently gained much popularity due to their surprising ability at generating human-like English sentences. LLMs are essentially predictors, estimating the probability of a sequence of words given the past. Therefore, it is natural to evaluate their performance from a universal prediction perspective. In order to do that fairly, we introduce the notion of batch regret as a modification of the classical average regret, and we study its asymptotical value for add-constant predictors, in the case of memoryless sources and first-order Markov sources.  ( 2 min )

Exemplar-Free Class Incremental Learning (EFCIL) aims to learn from a sequence of tasks without having access to previous task data. In this paper, we consider the challenging Cold Start scenario in which insufficient data is available in the first task to learn a high-quality backbone. This is especially challenging for EFCIL since it requires high plasticity, which results in feature drift which is difficult to compensate for in the exemplar-free setting. To address this problem, we propose a simple and effective approach that consolidates feature representations by regularizing drift in directions highly relevant to previous tasks and employs prototypes to reduce task-recency bias. Our method, called Elastic Feature Consolidation (EFC), exploits a tractable second-order approximation of feature drift based on an Empirical Feature Matrix (EFM). The EFM induces a pseudo-metric in feature space which we use to regularize feature drift in important directions and to update Gaussian prototypes used in a novel asymmetric cross entropy loss which effectively balances prototype rehearsal with data from new tasks. Experimental results on CIFAR-100, Tiny-ImageNet, ImageNet-Subset and ImageNet-1K demonstrate that Elastic Feature Consolidation is better able to learn new tasks by maintaining model plasticity and significantly outperform the state-of-the-art.  ( 2 min )

Knowledge distillation (KD) is widely used for compressing a teacher model to a smaller student model, reducing its inference cost and memory footprint while preserving model capabilities. However, current KD methods for auto-regressive sequence models (e.g., large language models) suffer from missing a standardized objective function. Moreover, the recent use of student-generated outputs to address training-inference mismatches has significantly escalated computational costs. To tackle these issues, we introduce DistiLLM, a more effective and efficient KD framework for auto-regressive language models. DistiLLM comprises two components: (1) a novel skew Kullback-Leibler divergence loss, where we unveil and leverage its theoretical properties, and (2) an adaptive off-policy approach designed to enhance the efficiency in utilizing student-generated outputs. Extensive experiments, including instruction-following tasks, demonstrate the effectiveness of DistiLLM in building high-performing student models while achieving up to 4.3$\times$ speedup compared to recent KD methods.  ( 2 min )

Predicting the movement of other road users is beneficial for improving automated vehicle (AV) performance. However, the relationship between the time horizon associated with these predictions and AV performance remains unclear. Despite the existence of numerous trajectory prediction algorithms, no studies have been conducted on how varying prediction lengths affect AV safety and other vehicle performance metrics, resulting in undefined horizon requirements for prediction methods. Our study addresses this gap by examining the effects of different prediction horizons on AV performance, focusing on safety, comfort, and efficiency. Through multiple experiments using a state-of-the-art, risk-based predictive trajectory planner, we simulated predictions with horizons up to 20 seconds. Based on our simulations, we propose a framework for specifying the minimum required and optimal prediction horizons based on specific AV performance criteria and application needs. Our results indicate that a horizon of 1.6 seconds is required to prevent collisions with crossing pedestrians, horizons of 7-8 seconds yield the best efficiency, and horizons up to 15 seconds improve passenger comfort. We conclude that prediction horizon requirements are application-dependent, and recommend aiming for a prediction horizon of 11.8 seconds as a general guideline for applications involving crossing pedestrians.  ( 2 min )

Geometric quantum machine learning (GQML) aims to embed problem symmetries for learning efficient solving protocols. However, the question remains if (G)QML can be routinely used for constructing protocols with an exponential separation from classical analogs. In this Letter we consider Simon's problem for learning properties of Boolean functions, and show that this can be related to an unsupervised circuit classification problem. Using the workflow of geometric QML, we learn from first principles Simon's algorithm, thus discovering an example of BQP$^A\neq$BPP protocol with respect to some dataset (oracle $A$). Our key findings include the development of an equivariant feature map for embedding Boolean functions, based on twirling with respect to identified bitflip and permutational symmetries, and measurement based on invariant observables with a sampling advantage. The proposed workflow points to the importance of data embeddings and classical post-processing, while keeping the variational circuit as a trivial identity operator. Next, developing the intuition for the function learning, we visualize instances as directed computational hypergraphs, and observe that the GQML protocol can access their global topological features for distinguishing bijective and surjective functions. Finally, we discuss the prospects for learning other BQP$^A$-type protocols, and conjecture that this depends on the ability of simplifying embeddings-based oracles $A$ applied as a linear combination of unitaries.  ( 2 min )

Bilevel optimization has seen an increasing presence in various domains of applications. In this work, we propose a framework for solving bilevel optimization problems where variables of both lower and upper level problems are constrained on Riemannian manifolds. We provide several hypergradient estimation strategies on manifolds and study their estimation error. We provide convergence and complexity analysis for the proposed hypergradient descent algorithm on manifolds. We also extend the developments to stochastic bilevel optimization and to the use of general retraction. We showcase the utility of the proposed framework on various applications.  ( 2 min )

Supervised learning has recently garnered significant attention in the field of computational physics due to its ability to effectively extract complex patterns for tasks like solving partial differential equations, or predicting material properties. Traditionally, such datasets consist of inputs given as meshes with a large number of nodes representing the problem geometry (seen as graphs), and corresponding outputs obtained with a numerical solver. This means the supervised learning model must be able to handle large and sparse graphs with continuous node attributes. In this work, we focus on Gaussian process regression, for which we introduce the Sliced Wasserstein Weisfeiler-Lehman (SWWL) graph kernel. In contrast to existing graph kernels, the proposed SWWL kernel enjoys positive definiteness and a drastic complexity reduction, which makes it possible to process datasets that were previously impossible to handle. The new kernel is first validated on graph classification for molecular datasets, where the input graphs have a few tens of nodes. The efficiency of the SWWL kernel is then illustrated on graph regression in computational fluid dynamics and solid mechanics, where the input graphs are made up of tens of thousands of nodes.  ( 2 min )

This paper presents RevOrder, a novel technique aimed at improving arithmetic operations in large language models (LLMs) by reversing the output digits in addition, subtraction, and n-digit by 1-digit (nD by 1D) multiplication tasks. Our method significantly reduces the Count of Sequential Intermediate Digits (CSID) to $\mathcal{O}(1)$, a new metric we introduce to assess equation complexity. Through comprehensive testing, RevOrder not only achieves perfect accuracy in basic arithmetic operations but also substantially boosts LLM performance in division tasks, particularly with large numbers where traditional models struggle. Implementation of RevOrder is cost-effective for both training and inference phases. Moreover, applying RevOrder to fine-tune the LLaMA2-7B model on the GSM8K math task results in a considerable improvement, reducing equation calculation errors by 46% and increasing overall scores from 41.6 to 44.4.  ( 2 min )

The NK hybrid genetic algorithm for clustering is proposed in this paper. In order to evaluate the solutions, the hybrid algorithm uses the NK clustering validation criterion 2 (NKCV2). NKCV2 uses information about the disposition of $N$ small groups of objects. Each group is composed of $K+1$ objects of the dataset. Experimental results show that density-based regions can be identified by using NKCV2 with fixed small $K$. In NKCV2, the relationship between decision variables is known, which in turn allows us to apply gray box optimization. Mutation operators, a partition crossover, and a local search strategy are proposed, all using information about the relationship between decision variables. In partition crossover, the evaluation function is decomposed into $q$ independent components; partition crossover then deterministically returns the best among $2^q$ possible offspring with computational complexity $O(N)$. The NK hybrid genetic algorithm allows the detection of clusters with arbitrary shapes and the automatic estimation of the number of clusters. In the experiments, the NK hybrid genetic algorithm produced very good results when compared to another genetic algorithm approach and to state-of-art clustering algorithms.  ( 2 min )

Synthetic Minority Oversampling Technique (SMOTE) is a common rebalancing strategy for handling imbalanced data sets. Asymptotically, we prove that SMOTE (with default parameter) regenerates the original distribution by simply copying the original minority samples. We also prove that SMOTE density vanishes near the boundary of the support of the minority distribution, therefore justifying the common BorderLine SMOTE strategy. Then we introduce two new SMOTE-related strategies, and compare them with state-of-the-art rebalancing procedures. We show that rebalancing strategies are only required when the data set is highly imbalanced. For such data sets, SMOTE, our proposals, or undersampling procedures are the best strategies.  ( 2 min )

This paper explores the integration of Explainable Automated Machine Learning (AutoML) in the realm of financial engineering, specifically focusing on its application in credit decision-making. The rapid evolution of Artificial Intelligence (AI) in finance has necessitated a balance between sophisticated algorithmic decision-making and the need for transparency in these systems. The focus is on how AutoML can streamline the development of robust machine learning models for credit scoring, while Explainable AI (XAI) methods, particularly SHapley Additive exPlanations (SHAP), provide insights into the models' decision-making processes. This study demonstrates how the combination of AutoML and XAI not only enhances the efficiency and accuracy of credit decisions but also fosters trust and collaboration between humans and AI systems. The findings underscore the potential of explainable AutoML in improving the transparency and accountability of AI-driven financial decisions, aligning with regulatory requirements and ethical considerations.  ( 2 min )

Surface electromyography (sEMG) recordings can be influenced by electrocardiogram (ECG) signals when the muscle being monitored is close to the heart. Several existing methods use signal-processing-based approaches, such as high-pass filter and template subtraction, while some derive mapping functions to restore clean sEMG signals from noisy sEMG (sEMG with ECG interference). Recently, the score-based diffusion model, a renowned generative model, has been introduced to generate high-quality and accurate samples with noisy input data. In this study, we proposed a novel approach, termed SDEMG, as a score-based diffusion model for sEMG signal denoising. To evaluate the proposed SDEMG approach, we conduct experiments to reduce noise in sEMG signals, employing data from an openly accessible source, the Non-Invasive Adaptive Prosthetics database, along with ECG signals from the MIT-BIH Normal Sinus Rhythm Database. The experiment result indicates that SDEMG outperformed comparative methods and produced high-quality sEMG samples. The source code of SDEMG the framework is available at: https://github.com/tonyliu0910/SDEMG  ( 2 min )

The majority of computer vision applications that handle images featuring humans use face detection as a core component. Face detection still has issues, despite much research on the topic. Face detection's accuracy and speed might yet be increased. This review paper shows the progress made in this area as well as the substantial issues that still need to be tackled. The paper provides research directions that can be taken up as research projects in the field of face detection.  ( 2 min )

Molecular Relational Learning (MRL), aiming to understand interactions between molecular pairs, plays a pivotal role in advancing biochemical research. Recently, the adoption of large language models (LLMs), known for their vast knowledge repositories and advanced logical inference capabilities, has emerged as a promising way for efficient and effective MRL. Despite their potential, these methods predominantly rely on the textual data, thus not fully harnessing the wealth of structural information inherent in molecular graphs. Moreover, the absence of a unified framework exacerbates the information underutilization, as it hinders the sharing of interaction rationale learned across diverse datasets. To address these challenges, this work proposes a novel LLM-based multi-modal framework for Molecular inTeraction prediction following Chain-of-Thought (CoT) theory, termed MolTC, which can efficiently integrate rich graphical information of molecular pairs. For achieving a unified MRL, MolTC innovatively develops a dynamic parameter-sharing strategy for cross-dataset information exchange, and introduces a Multi-hierarchical CoT principle to refine training paradigm. Our experiments, conducted across twelve varied datasets involving over 4,000,000 molecular pairs, demonstrate the superiority of our method over current GNN and LLM-based baselines. On the top of that, a comprehensive Molecular Interactive Instructions dataset is constructed for the development of biochemical LLM, including our MolTC. Code is available at https://github.com/MangoKiller/MolTC.  ( 2 min )

The increasing complexity of advanced machine learning models requires innovative approaches to manage computational resources effectively. One such method is the Early Exit strategy, which allows for adaptive computation by providing a mechanism to shorten the processing path for simpler data instances. In this paper, we propose EERO, a new methodology to translate the problem of early exiting to a problem of using multiple classifiers with reject option in order to better select the exiting head for each instance. We calibrate the probabilities of exiting at the different heads using aggregation with exponential weights to guarantee a fixed budget .We consider factors such as Bayesian risk, budget constraints, and head-specific budget consumption. Experimental results, conducted using a ResNet-18 model and a ConvNext architecture on Cifar and ImageNet datasets, demonstrate that our method not only effectively manages budget allocation but also enhances accuracy in overthinking scenarios.  ( 2 min )

This paper investigates the language of propaganda and its stylistic features. It presents the PPN dataset, standing for Propagandist Pseudo-News, a multisource, multilingual, multimodal dataset composed of news articles extracted from websites identified as propaganda sources by expert agencies. A limited sample from this set was randomly mixed with papers from the regular French press, and their URL masked, to conduct an annotation-experiment by humans, using 11 distinct labels. The results show that human annotators were able to reliably discriminate between the two types of press across each of the labels. We propose different NLP techniques to identify the cues used by the annotators, and to compare them with machine classification. They include the analyzer VAGO to measure discourse vagueness and subjectivity, a TF-IDF to serve as a baseline, and four different classifiers: two RoBERTa-based models, CATS using syntax, and one XGBoost combining syntactic and semantic features. Keywords: Propaganda, Fake News, Explainability, AI alignment, Vagueness, Subjectivity, Exaggeration, Stylistic analysis  ( 2 min )

Hyperspectral Imaging (HSI) for fluorescence-guided brain tumor resection enables visualization of differences between tissues that are not distinguishable to humans. This augmentation can maximize brain tumor resection, improving patient outcomes. However, much of the processing in HSI uses simplified linear methods that are unable to capture the non-linear, wavelength-dependent phenomena that must be modeled for accurate recovery of fluorophore abundances. We therefore propose two deep learning models for correction and unmixing, which can account for the nonlinear effects and produce more accurate estimates of abundances. Both models use an autoencoder-like architecture to process the captured spectra. One is trained with protoporphyrin IX (PpIX) concentration labels. The other undergoes semi-supervised training, first learning hyperspectral unmixing self-supervised and then learning to correct fluorescence emission spectra for heterogeneous optical and geometric properties using a reference white-light reflectance spectrum in a few-shot manner. The models were evaluated against phantom and pig brain data with known PpIX concentration; the supervised model achieved Pearson correlation coefficients (R values) between the known and computed PpIX concentrations of 0.997 and 0.990, respectively, whereas the classical approach achieved only 0.93 and 0.82. The semi-supervised approach's R values were 0.98 and 0.91, respectively. On human data, the semi-supervised model gives qualitatively more realistic results than the classical method, better removing bright spots of specular reflectance and reducing the variance in PpIX abundance over biopsies that should be relatively homogeneous. These results show promise for using deep learning to improve HSI in fluorescence-guided neurosurgery.  ( 3 min )

Large language models (LLMs) have recently experienced remarkable progress, where the advent of multi-modal large language models (MLLMs) has endowed LLMs with visual capabilities, leading to impressive performances in various multi-modal tasks. However, those powerful MLLMs such as GPT-4V still fail spectacularly when presented with certain image and text inputs. In this paper, we identify a typical class of inputs that baffles MLLMs, which consist of images that are highly relevant but inconsistent with answers, causing MLLMs to suffer from hallucination. To quantify the effect, we propose CorrelationQA, the first benchmark that assesses the hallucination level given spurious images. This benchmark contains 7,308 text-image pairs across 13 categories. Based on the proposed CorrelationQA, we conduct a thorough analysis on 9 mainstream MLLMs, illustrating that they universally suffer from this instinctive bias to varying degrees. We hope that our curated benchmark and evaluation results aid in better assessments of the MLLMs' robustness in the presence of misleading images. The resource is available in https://github.com/MasaiahHan/CorrelationQA.  ( 2 min )

Can a lightweight Vision Transformer (ViT) match or exceed the performance of Convolutional Neural Networks (CNNs) like ResNet on small datasets with small image resolutions? This report demonstrates that a pure ViT can indeed achieve superior performance through pre-training, using a masked auto-encoder technique with minimal image scaling. Our experiments on the CIFAR-10 and CIFAR-100 datasets involved ViT models with fewer than 3.65 million parameters and a multiply-accumulate (MAC) count below 0.27G, qualifying them as 'lightweight' models. Unlike previous approaches, our method attains state-of-the-art performance among similar lightweight transformer-based architectures without significantly scaling up images from CIFAR-10 and CIFAR-100. This achievement underscores the efficiency of our model, not only in handling small datasets but also in effectively processing images close to their original scale.  ( 2 min )

The detection of automated accounts, also known as "social bots", has been an increasingly important concern for online social networks (OSNs). While several methods have been proposed for detecting social bots, significant research gaps remain. First, current models exhibit limitations in detecting sophisticated bots that aim to mimic genuine OSN users. Second, these methods often rely on simplistic profile features, which are susceptible to manipulation. In addition to their vulnerability to adversarial manipulations, these models lack generalizability, resulting in subpar performance when trained on one dataset and tested on another. To address these challenges, we propose a novel framework for social Bot detection with Self-Supervised Contrastive Learning (BotSSCL). Our framework leverages contrastive learning to distinguish between social bots and humans in the embedding space to improve linear separability. The high-level representations derived by BotSSCL enhance its resilience to variations in data distribution and ensure generalizability. We evaluate BotSSCL's robustness against adversarial attempts to manipulate bot accounts to evade detection. Experiments on two datasets featuring sophisticated bots demonstrate that BotSSCL outperforms other supervised, unsupervised, and self-supervised baseline methods. We achieve approx. 6% and approx. 8% higher (F1) performance than SOTA on both datasets. In addition, BotSSCL also achieves 67% F1 when trained on one dataset and tested with another, demonstrating its generalizability. Lastly, BotSSCL increases adversarial complexity and only allows 4% success to the adversary in evading detection.  ( 2 min )

Wearable sensors have permeated into people's lives, ushering impactful applications in interactive systems and activity recognition. However, practitioners face significant obstacles when dealing with sensing heterogeneities, requiring custom models for different platforms. In this paper, we conduct a comprehensive evaluation of the generalizability of motion models across sensor locations. Our analysis highlights this challenge and identifies key on-body locations for building location-invariant models that can be integrated on any device. For this, we introduce the largest multi-location activity dataset (N=50, 200 cumulative hours), which we make publicly available. We also present deployable on-device motion models reaching 91.41% frame-level F1-score from a single model irrespective of sensor placements. Lastly, we investigate cross-location data synthesis, aiming to alleviate the laborious data collection tasks by synthesizing data in one location given data from another. These contributions advance our vision of low-barrier, location-invariant activity recognition systems, catalyzing research in HCI and ubiquitous computing.  ( 2 min )

The Maximum s-Bundle Problem (MBP) addresses the task of identifying a maximum s-bundle in a given graph. A graph G=(V, E) is called an s-bundle if its vertex connectivity is at least |V|-s, where the vertex connectivity equals the minimum number of vertices whose deletion yields a disconnected or trivial graph. MBP is NP-hard and holds relevance in numerous realworld scenarios emphasizing the vertex connectivity. Exact algorithms for MBP mainly follow the branch-and-bound (BnB) framework, whose performance heavily depends on the quality of the upper bound on the cardinality of a maximum s-bundle and the initial lower bound with graph reduction. In this work, we introduce a novel Partition-based Upper Bound (PUB) that leverages the graph partitioning technique to achieve a tighter upper bound compared to existing ones. To increase the lower bound, we propose to do short random walks on a clique to generate larger initial solutions. Then, we propose a new BnB algorithm that uses the initial lower bound and PUB in preprocessing for graph reduction, and uses PUB in the BnB search process for branch pruning. Extensive experiments with diverse s values demonstrate the significant progress of our algorithm over state-of-the-art BnB MBP algorithms. Moreover, our initial lower bound can also be generalized to other relaxation clique problems.  ( 3 min )

Knowledge graphs (KGs) have garnered significant attention for their vast potential across diverse domains. However, the issue of outdated facts poses a challenge to KGs, affecting their overall quality as real-world information evolves. Existing solutions for outdated fact detection often rely on manual recognition. In response, this paper presents DEAN (Deep outdatEd fAct detectioN), a novel deep learning-based framework designed to identify outdated facts within KGs. DEAN distinguishes itself by capturing implicit structural information among facts through comprehensive modeling of both entities and relations. To effectively uncover latent out-of-date information, DEAN employs a contrastive approach based on a pre-defined Relations-to-Nodes (R2N) graph, weighted by the number of entities. Experimental results demonstrate the effectiveness and superiority of DEAN over state-of-the-art baseline methods.  ( 2 min )

This paper introduces a novel decision-making framework that promotes consistency among decisions made by diverse models while utilizing external knowledge. Leveraging the Integer Linear Programming (ILP) framework, we map predictions from various models into globally normalized and comparable values by incorporating information about decisions' prior probability, confidence (uncertainty), and the models' expected accuracy. Our empirical study demonstrates the superiority of our approach over conventional baselines on multiple datasets.  ( 2 min )

In this study, we consider the reliability assessment of anomaly detection (AD) using Variational Autoencoder (VAE). Over the last decade, VAE-based AD has been actively studied in various perspective, from method development to applied research. However, when the results of ADs are used in high-stakes decision-making, such as in medical diagnosis, it is necessary to ensure the reliability of the detected anomalies. In this study, we propose the VAE-AD Test as a method for quantifying the statistical reliability of VAE-based AD within the framework of statistical testing. Using the VAE-AD Test, the reliability of the anomaly regions detected by a VAE can be quantified in the form of p-values. This means that if an anomaly is declared when the p-value is below a certain threshold, it is possible to control the probability of false detection to a desired level. Since the VAE-AD Test is constructed based on a new statistical inference framework called selective inference, its validity is theoretically guaranteed in finite samples. To demonstrate the validity and effectiveness of the proposed VAE-AD Test, numerical experiments on artificial data and applications to brain image analysis are conducted.  ( 2 min )

Prescription contraceptives play a critical role in supporting women's reproductive health. With nearly 50 million women in the United States using contraceptives, understanding the factors that drive contraceptives selection and switching is of significant interest. However, many factors related to medication switching are often only captured in unstructured clinical notes and can be difficult to extract. Here, we evaluate the zero-shot abilities of a recently developed large language model, GPT-4 (via HIPAA-compliant Microsoft Azure API), to identify reasons for switching between classes of contraceptives from the UCSF Information Commons clinical notes dataset. We demonstrate that GPT-4 can accurately extract reasons for contraceptive switching, outperforming baseline BERT-based models with microF1 scores of 0.849 and 0.881 for contraceptive start and stop extraction, respectively. Human evaluation of GPT-4-extracted reasons for switching showed 91.4% accuracy, with minimal hallucinations. Using extracted reasons, we identified patient preference, adverse events, and insurance as key reasons for switching using unsupervised topic modeling approaches. Notably, we also showed using our approach that "weight gain/mood change" and "insurance coverage" are disproportionately found as reasons for contraceptive switching in specific demographic populations. Our code and supplemental data are available at https://github.com/BMiao10/contraceptive-switching.  ( 2 min )

Vertical Federated Learning (VFL) is a federated learning paradigm where multiple participants, who share the same set of samples but hold different features, jointly train machine learning models. Although VFL enables collaborative machine learning without sharing raw data, it is still susceptible to various privacy threats. In this paper, we conduct the first comprehensive survey of the state-of-the-art in privacy attacks and defenses in VFL. We provide taxonomies for both attacks and defenses, based on their characterizations, and discuss open challenges and future research directions. Specifically, our discussion is structured around the model's life cycle, by delving into the privacy threats encountered during different stages of machine learning and their corresponding countermeasures. This survey not only serves as a resource for the research community but also offers clear guidance and actionable insights for practitioners to safeguard data privacy throughout the model's life cycle.  ( 2 min )

Reward engineering has long been a challenge in Reinforcement Learning (RL) research, as it often requires extensive human effort and iterative processes of trial-and-error to design effective reward functions. In this paper, we propose RL-VLM-F, a method that automatically generates reward functions for agents to learn new tasks, using only a text description of the task goal and the agent's visual observations, by leveraging feedbacks from vision language foundation models (VLMs). The key to our approach is to query these models to give preferences over pairs of the agent's image observations based on the text description of the task goal, and then learn a reward function from the preference labels, rather than directly prompting these models to output a raw reward score, which can be noisy and inconsistent. We demonstrate that RL-VLM-F successfully produces effective rewards and policies across various domains - including classic control, as well as manipulation of rigid, articulated, and deformable objects - without the need for human supervision, outperforming prior methods that use large pretrained models for reward generation under the same assumptions.  ( 2 min )

Reinforcement Learning (RL) has made significant strides in enabling artificial agents to learn diverse behaviors. However, learning an effective policy often requires a large number of environment interactions. To mitigate sample complexity issues, recent approaches have used high-level task specifications, such as Linear Temporal Logic (LTL$_f$) formulas or Reward Machines (RM), to guide the learning progress of the agent. In this work, we propose a novel approach, called Logical Specifications-guided Dynamic Task Sampling (LSTS), that learns a set of RL policies to guide an agent from an initial state to a goal state based on a high-level task specification, while minimizing the number of environmental interactions. Unlike previous work, LSTS does not assume information about the environment dynamics or the Reward Machine, and dynamically samples promising tasks that lead to successful goal policies. We evaluate LSTS on a gridworld and show that it achieves improved time-to-threshold performance on complex sequential decision-making problems compared to state-of-the-art RM and Automaton-guided RL baselines, such as Q-Learning for Reward Machines and Compositional RL from logical Specifications (DIRL). Moreover, we demonstrate that our method outperforms RM and Automaton-guided RL baselines in terms of sample-efficiency, both in a partially observable robotic task and in a continuous control robotic manipulation task.  ( 2 min )

Protein-protein interactions (PPIs) are crucial in regulating numerous cellular functions, including signal transduction, transportation, and immune defense. As the accuracy of multi-chain protein complex structure prediction improves, the challenge has shifted towards effectively navigating the vast complex universe to identify potential PPIs. Herein, we propose PPIretrieval, the first deep learning-based model for protein-protein interaction exploration, which leverages existing PPI data to effectively search for potential PPIs in an embedding space, capturing rich geometric and chemical information of protein surfaces. When provided with an unseen query protein with its associated binding site, PPIretrieval effectively identifies a potential binding partner along with its corresponding binding site in an embedding space, facilitating the formation of protein-protein complexes.  ( 2 min )

Real-world networks, with their evolving relations, are best captured as temporal graphs. However, existing software libraries are largely designed for static graphs where the dynamic nature of temporal graphs is ignored. Bridging this gap, we introduce TGX, a Python package specially designed for analysis of temporal networks that encompasses an automated pipeline for data loading, data processing, and analysis of evolving graphs. TGX provides access to eleven built-in datasets and eight external Temporal Graph Benchmark (TGB) datasets as well as any novel datasets in the .csv format. Beyond data loading, TGX facilitates data processing functionalities such as discretization of temporal graphs and node subsampling to accelerate working with larger datasets. For comprehensive investigation, TGX offers network analysis by providing a diverse set of measures, including average node degree and the evolving number of nodes and edges per timestamp. Additionally, the package consolidates meaningful visualization plots indicating the evolution of temporal patterns, such as Temporal Edge Appearance (TEA) and Temporal Edge Trafficc (TET) plots. The TGX package is a robust tool for examining the features of temporal graphs and can be used in various areas like studying social networks, citation networks, and tracking user interactions. We plan to continuously support and update TGX based on community feedback. TGX is publicly available on: https://github.com/ComplexData-MILA/TGX.  ( 2 min )

This paper introduces a novel nonparametric framework for data imputation, coined multilinear kernel regression and imputation via the manifold assumption (MultiL-KRIM). Motivated by manifold learning, MultiL-KRIM models data features as a point cloud located in or close to a user-unknown smooth manifold embedded in a reproducing kernel Hilbert space. Unlike typical manifold-learning routes, which seek low-dimensional patterns via regularizers based on graph-Laplacian matrices, MultiL-KRIM builds instead on the intuitive concept of tangent spaces to manifolds and incorporates collaboration among point-cloud neighbors (regressors) directly into the data-modeling term of the loss function. Multiple kernel functions are allowed to offer robustness and rich approximation properties, while multiple matrix factors offer low-rank modeling, integrate dimensionality reduction, and streamline computations with no need of training data. Two important application domains showcase the functionality of MultiL-KRIM: time-varying-graph-signal (TVGS) recovery, and reconstruction of highly accelerated dynamic-magnetic-resonance-imaging (dMRI) data. Extensive numerical tests on real and synthetic data demonstrate MultiL-KRIM's remarkable speedups over its predecessors, and outperformance over prevalent "shallow" data-imputation techniques, with a more intuitive and explainable pipeline than deep-image-prior methods.  ( 2 min )

The Stanceosaurus corpus (Zheng et al., 2022) was designed to provide high-quality, annotated, 5-way stance data extracted from Twitter, suitable for analyzing cross-cultural and cross-lingual misinformation. In the Stanceosaurus 2.0 iteration, we extend this framework to encompass Russian and Spanish. The former is of current significance due to prevalent misinformation amid escalating tensions with the West and the violent incursion into Ukraine. The latter, meanwhile, represents an enormous community that has been largely overlooked on major social media platforms. By incorporating an additional 3,874 Spanish and Russian tweets over 41 misinformation claims, our objective is to support research focused on these issues. To demonstrate the value of this data, we employed zero-shot cross-lingual transfer on multilingual BERT, yielding results on par with the initial Stanceosaurus study with a macro F1 score of 43 for both languages. This underlines the viability of stance classification as an effective tool for identifying multicultural misinformation.  ( 2 min )

BLDC motor applications require precise position and speed measurements, traditionally obtained with sensors. This article presents a method for estimating those measurements without position sensors using terminal phase voltages with attenuated spurious, acquired with a FPGA that also operates a PWM-controlled inverter. Voltages are labelled with electrical and virtual rotor states using an encoder that provides training and testing data for two three-layer ANNs with perceptron-based cascade topology. The first ANN estimates the position from features of voltages with incremental timestamps, and the second ANN estimates the speed from features of position differentials considering timestamps in an acquisition window. Sensor-based training and sensorless testing at 125 to 1,500 rpm with a loaded 8-pole-pair motor obtained absolute errors of 0.8 electrical degrees and 22 rpm. Results conclude that the overall position estimation significantly improved conventional and advanced methods, and the speed estimation slightly improved conventional methods, but was worse than in advanced ones.  ( 2 min )

Knowledge graph embedding (KGE) models achieved state-of-the-art results on many knowledge graph tasks including link prediction and information retrieval. Despite the superior performance of KGE models in practice, we discover a deficiency in the expressiveness of some popular existing KGE models called \emph{Z-paradox}. Motivated by the existence of Z-paradox, we propose a new KGE model called \emph{MQuinE} that does not suffer from Z-paradox while preserves strong expressiveness to model various relation patterns including symmetric/asymmetric, inverse, 1-N/N-1/N-N, and composition relations with theoretical justification. Experiments on real-world knowledge bases indicate that Z-paradox indeed degrades the performance of existing KGE models, and can cause more than 20\% accuracy drop on some challenging test samples. Our experiments further demonstrate that MQuinE can mitigate the negative impact of Z-paradox and outperform existing KGE models by a visible margin on link prediction tasks.  ( 2 min )

Spatial prediction tasks are key to weather forecasting, studying air pollution, and other scientific endeavors. Determining how much to trust predictions made by statistical or physical methods is essential for the credibility of scientific conclusions. Unfortunately, classical approaches for validation fail to handle mismatch between locations available for validation and (test) locations where we want to make predictions. This mismatch is often not an instance of covariate shift (as commonly formalized) because the validation and test locations are fixed (e.g., on a grid or at select points) rather than i.i.d. from two distributions. In the present work, we formalize a check on validation methods: that they become arbitrarily accurate as validation data becomes arbitrarily dense. We show that classical and covariate-shift methods can fail this check. We instead propose a method that builds from existing ideas in the covariate-shift literature, but adapts them to the validation data at hand. We prove that our proposal passes our check. And we demonstrate its advantages empirically on simulated and real data.  ( 2 min )

Recent work has shown that large language models (LLMs) are capable of generating summaries zero-shot (i.e., without explicit supervision) that, under human assessment, are often comparable or even preferred to manually composed reference summaries. However, this prior work has focussed almost exclusively on evaluating news article summarization. How do zero-shot summarizers perform in other (potentially more specialized) domains? In this work we evaluate zero-shot generated summaries across specialized domains including biomedical articles, and legal bills (in addition to standard news benchmarks for reference). We focus especially on the factuality of outputs. We acquire annotations from domain experts to identify inconsistencies in summaries and systematically categorize these errors. We analyze whether the prevalence of a given domain in the pretraining corpus affects extractiveness and faithfulness of generated summaries of articles in this domain. We release all collected annotations to facilitate additional research toward measuring and realizing factually accurate summarization, beyond news articles. The dataset can be downloaded from https://github.com/sanjanaramprasad/zero_shot_faceval_domains  ( 2 min )

For half a century, artificial intelligence research has attempted to reproduce the human qualities of abstraction and reasoning - creating computer systems that can learn new concepts from a minimal set of examples, in settings where humans find this easy. While specific neural networks are able to solve an impressive range of problems, broad generalisation to situations outside their training data has proved elusive.In this work, we look at several novel approaches for solving the Abstraction & Reasoning Corpus (ARC), a dataset of abstract visual reasoning tasks introduced to test algorithms on broad generalization. Despite three international competitions with $100,000 in prizes, the best algorithms still fail to solve a majority of ARC tasks and rely on complex hand-crafted rules, without using machine learning at all. We revisit whether recent advances in neural networks allow progress on this task. First, we adapt the DreamCoder neurosymbolic reasoning solver to ARC. DreamCoder automatically writes programs in a bespoke domain-specific language to perform reasoning, using a neural network to mimic human intuition. We present the Perceptual Abstraction and Reasoning Language (PeARL) language, which allows DreamCoder to solve ARC tasks, and propose a new recognition model that allows us to significantly improve on the previous best implementation.We also propose a new encoding and augmentation scheme that allows large language models (LLMs) to solve ARC tasks, and find that the largest models can solve some ARC tasks. LLMs are able to solve a different group of problems to state-of-the-art solvers, and provide an interesting way to complement other approaches. We perform an ensemble analysis, combining models to achieve better results than any system alone. Finally, we publish the arckit Python library to make future research on ARC easier.  ( 3 min )

Attention-based architectures, in particular transformers, are at the heart of a technological revolution. Interestingly, in addition to helping obtain state-of-the-art results on a wide range of applications, the attention mechanism intrinsically provides meaningful insights on the internal behavior of the model. Can these insights be used as explanations? Debate rages on. In this paper, we mathematically study a simple attention-based architecture and pinpoint the differences between post-hoc and attention-based explanations. We show that they provide quite different results, and that, despite their limitations, post-hoc methods are capable of capturing more useful insights than merely examining the attention weights.  ( 2 min )

Modern recommender systems may output considerably different recommendations due to small perturbations in the training data. Changes in the data from a single user will alter the recommendations as well as the recommendations of other users. In applications like healthcare, housing, and finance, this sensitivity can have adverse effects on user experience. We propose a method to stabilize a given recommender system against such perturbations. This is a challenging task due to (1) the lack of a ``reference'' rank list that can be used to anchor the outputs; and (2) the computational challenges in ensuring the stability of rank lists with respect to all possible perturbations of training data. Our method, FINEST, overcomes these challenges by obtaining reference rank lists from a given recommendation model and then fine-tuning the model under simulated perturbation scenarios with rank-preserving regularization on sampled items. Our experiments on real-world datasets demonstrate that FINEST can ensure that recommender models output stable recommendations under a wide range of different perturbations without compromising next-item prediction accuracy.  ( 2 min )

Over the past few decades, many applications of physics-based simulations and data-driven techniques (including machine learning and deep learning) have emerged to analyze and predict solar flares. These approaches are pivotal in understanding the dynamics of solar flares, primarily aiming to forecast these events and minimize potential risks they may pose to Earth. Although current methods have made significant progress, there are still limitations to these data-driven approaches. One prominent drawback is the lack of consideration for the temporal evolution characteristics in the active regions from which these flares originate. This oversight hinders the ability of these methods to grasp the relationships between high-dimensional active region features, thereby limiting their usability in operations. This study centers on the development of interpretable classifiers for multivariate time series and the demonstration of a novel feature ranking method with sliding window-based sub-interval ranking. The primary contribution of our work is to bridge the gap between complex, less understandable black-box models used for high-dimensional data and the exploration of relevant sub-intervals from multivariate time series, specifically in the context of solar flare forecasting. Our findings demonstrate that our sliding-window time series forest classifier performs effectively in solar flare prediction (with a True Skill Statistic of over 85\%) while also pinpointing the most crucial features and sub-intervals for a given learning task.  ( 3 min )

In this work, we introduce a new deep learning approach based on diffusion posterior sampling (DPS) to perform material decomposition from spectral CT measurements. This approach combines sophisticated prior knowledge from unsupervised training with a rigorous physical model of the measurements. A faster and more stable variant is proposed that uses a jumpstarted process to reduce the number of time steps required in the reverse process and a gradient approximation to reduce the computational cost. Performance is investigated for two spectral CT systems: dual-kVp and dual-layer detector CT. On both systems, DPS achieves high Structure Similarity Index Metric Measure(SSIM) with only 10% of iterations as used in the model-based material decomposition(MBMD). Jumpstarted DPS (JSDPS) further reduces computational time by over 85% and achieves the highest accuracy, the lowest uncertainty, and the lowest computational costs compared to classic DPS and MBMD. The results demonstrate the potential of JSDPS for providing relatively fast and accurate material decomposition based on spectral CT data.  ( 2 min )

Variable importance plays a pivotal role in interpretable machine learning as it helps measure the impact of factors on the output of the prediction model. Model agnostic methods based on the generation of "null" features via permutation (or related approaches) can be applied. Such analysis is often utilized in pharmaceutical applications due to its ability to interpret black-box models, including tree-based ensembles. A major challenge and significant confounder in variable importance estimation however is the presence of between-feature correlation. Recently, several adjustments to marginal permutation utilizing feature knockoffs were proposed to address this issue, such as the variable importance measure known as conditional predictive impact (CPI). Assessment and evaluation of such approaches is the focus of our work. We first present a comprehensive simulation study investigating the impact of feature correlation on the assessment of variable importance. We then theoretically prove the limitation that highly correlated features pose for the CPI through the knockoff construction. While we expect that there is always no correlation between knockoff variables and its corresponding predictor variables, we prove that the correlation increases linearly beyond a certain correlation threshold between the predictor variables. Our findings emphasize the absence of free lunch when dealing with high feature correlation, as well as the necessity of understanding the utility and limitations behind methods in variable importance estimation.  ( 3 min )

We present a theoretical approach to overcome the curse of dimensionality using a neural computation algorithm which can be distributed across several machines. Our modular distributed deep learning paradigm, termed \textit{neural pathways}, can achieve arbitrary accuracy while only loading a small number of parameters into GPU VRAM. Formally, we prove that for every error level $\varepsilon>0$ and every Lipschitz function $f:[0,1]^n\to \mathbb{R}$, one can construct a neural pathways model which uniformly approximates $f$ to $\varepsilon$ accuracy over $[0,1]^n$ while only requiring networks of $\mathcal{O}(\varepsilon^{-1})$ parameters to be loaded in memory and $\mathcal{O}(\varepsilon^{-1}\log(\varepsilon^{-1}))$ to be loaded during the forward pass. This improves the optimal bounds for traditional non-distributed deep learning models, namely ReLU MLPs, which need $\mathcal{O}(\varepsilon^{-n/2})$ parameters to achieve the same accuracy. The only other available deep learning model that breaks the curse of dimensionality is MLPs with super-expressive activation functions. However, we demonstrate that these models have an infinite VC dimension, even with bounded depth and width restrictions, unlike the neural pathways model. This implies that only the latter generalizes. Our analysis is validated experimentally in both regression and classification tasks, demonstrating that our model exhibits superior performance compared to larger centralized benchmarks.  ( 2 min )

Dynamic 2-[18F] fluoro-2-deoxy-D-glucose positron emission tomography (dFDG-PET) for human brain imaging has considerable clinical potential, yet its utilization remains limited. A key challenge in the quantitative analysis of dFDG-PET is characterizing a patient-specific blood input function, traditionally reliant on invasive arterial blood sampling. This research introduces a novel approach employing non-invasive deep learning model-based computations from the internal carotid arteries (ICA) with partial volume (PV) corrections, thereby eliminating the need for invasive arterial sampling. We present an end-to-end pipeline incorporating a 3D U-Net based ICA-net for ICA segmentation, alongside a Recurrent Neural Network (RNN) based MCIF-net for the derivation of a model-corrected blood input function (MCIF) with PV corrections. The developed 3D U-Net and RNN was trained and validated using a 5-fold cross-validation approach on 50 human brain FDG PET datasets. The ICA-net achieved an average Dice score of 82.18% and an Intersection over Union of 68.54% across all tested scans. Furthermore, the MCIF-net exhibited a minimal root mean squared error of 0.0052. The application of this pipeline to ground truth data for dFDG-PET brain scans resulted in the precise localization of seizure onset regions, which contributed to a successful clinical outcome, with the patient achieving a seizure-free state after treatment. These results underscore the efficacy of the ICA-net and MCIF-net deep learning pipeline in learning the ICA structure's distribution and automating MCIF computation with PV corrections. This advancement marks a significant leap in non-invasive neuroimaging.  ( 3 min )

Generating 3D scenes is a challenging open problem, which requires synthesizing plausible content that is fully consistent in 3D space. While recent methods such as neural radiance fields excel at view synthesis and 3D reconstruction, they cannot synthesize plausible details in unobserved regions since they lack a generative capability. Conversely, existing generative methods are typically not capable of reconstructing detailed, large-scale scenes in the wild, as they use limited-capacity 3D scene representations, require aligned camera poses, or rely on additional regularizers. In this work, we introduce the first diffusion model able to perform fast, detailed reconstruction and generation of real-world 3D scenes. To achieve this, we make three contributions. First, we introduce a new neural scene representation, IB-planes, that can efficiently and accurately represent large 3D scenes, dynamically allocating more capacity as needed to capture details visible in each image. Second, we propose a denoising-diffusion framework to learn a prior over this novel 3D scene representation, using only 2D images without the need for any additional supervision signal such as masks or depths. This supports 3D reconstruction and generation in a unified architecture. Third, we develop a principled approach to avoid trivial 3D solutions when integrating the image-based rendering with the diffusion model, by dropping out representations of some images. We evaluate the model on several challenging datasets of real and synthetic images, and demonstrate superior results on generation, novel view synthesis and 3D reconstruction.  ( 2 min )

Large Language Models (LLMs) are one of the most promising technologies for the next era of speech generation systems, due to their scalability and in-context learning capabilities. Nevertheless, they suffer from multiple stability issues at inference time, such as hallucinations, content skipping or speech repetitions. In this work, we introduce a new self-supervised Voice Conversion (VC) architecture which can be used to learn to encode transitory features, such as content, separately from stationary ones, such as speaker ID or recording conditions, creating speaker-disentangled representations. Using speaker-disentangled codes to train LLMs for text-to-speech (TTS) allows the LLM to generate the content and the style of the speech only from the text, similarly to humans, while the speaker identity is provided by the decoder of the VC model. Results show that LLMs trained over speaker-disentangled self-supervised representations provide an improvement of 4.7pp in speaker similarity over SOTA entangled representations, and a word error rate (WER) 5.4pp lower. Furthermore, they achieve higher naturalness than human recordings of the LibriTTS test-other dataset. Finally, we show that using explicit reference embedding negatively impacts intelligibility (stability), with WER increasing by 14pp compared to the model that only uses text to infer the style.  ( 2 min )

Nonlinear hyperspectral unmixing has recently received considerable attention, as linear mixture models do not lead to an acceptable resolution in some problems. In fact, most nonlinear unmixing methods are designed by assuming specific assumptions on the nonlinearity model which subsequently limits the unmixing performance. In this paper, we propose an unsupervised nonlinear unmixing approach based on deep learning by incorporating a general nonlinear model with no special assumptions. This model consists of two branches. In the first branch, endmembers are learned by reconstructing the rows of hyperspectral images using some hidden layers, and in the second branch, abundance values are learned based on the columns of respective images. Then, using multi-task learning, we introduce an auxiliary task to enforce the two branches to work together. This technique can be considered as a regularizer mitigating overfitting, which improves the performance of the total network. Extensive experiments on synthetic and real data verify the effectiveness of the proposed method compared to some state-of-the-art hyperspectral unmixing methods.  ( 2 min )

The remarkable capability of large language models (LLMs) in generating high-quality code has drawn increasing attention in the software testing community. However, existing code LLMs often demonstrate unsatisfactory capabilities in generating accurate and complete tests since they were trained on code snippets collected without differentiating between code for testing purposes and other code. In this paper, we present a large-scale dataset UniTSyn, which is capable of enhancing the prowess of LLMs for Unit Test Synthesis. Associating tests with the tested functions is crucial for LLMs to infer the expected behavior and the logic paths to be verified. By leveraging Language Server Protocol, UniTSyn achieves the challenging goal of collecting focal-test pairs without per-project execution setups or per-language heuristics that tend to be fragile and difficult to scale. It contains 2.7 million focal-test pairs across five mainstream programming languages, making it possible to be utilized for enhancing the test generation ability of LLMs. The details of UniTSyn can be found in Table 1. Our experiments demonstrate that, by building an autoregressive model based on UniTSyn, we can achieve significant benefits in learning and understanding unit test representations, resulting in improved generation accuracy and code coverage across all evaluated programming languages. Code and data will be publicly available.  ( 3 min )

Users' behavioral footprints online enable firms to discover behavior-based user segments (or, segments) and deliver segment specific messages to users. Following the discovery of segments, delivery of messages to users through preferred media channels like Facebook and Google can be challenging, as only a portion of users in a behavior segment find match in a medium, and only a fraction of those matched actually see the message (exposure). Even high quality discovery becomes futile when delivery fails. Many sophisticated algorithms exist for discovering behavioral segments; however, these ignore the delivery component. The problem is compounded because (i) the discovery is performed on the behavior data space in firms' data (e.g., user clicks), while the delivery is predicated on the static data space (e.g., geo, age) as defined by media; and (ii) firms work under budget constraint. We introduce a stochastic optimization based algorithm for delivery optimized discovery of behavioral user segmentation and offer new metrics to address the joint optimization. We leverage optimization under a budget constraint for delivery combined with a learning-based component for discovery. Extensive experiments on a public dataset from Google and a proprietary dataset show the effectiveness of our approach by simultaneously improving delivery metrics, reducing budget spend and achieving strong predictive performance in discovery.  ( 2 min )

Graph generation is a fundamental problem in various domains, including chemistry and social networks. Recent work has shown that molecular graph generation using recurrent neural networks (RNNs) is advantageous compared to traditional generative approaches which require converting continuous latent representations into graphs. One issue which arises when treating graph generation as sequential generation is the arbitrary order of the sequence which results from a particular choice of graph flattening method. In this work we propose using RNNs, taking into account the non-sequential nature of graphs by adding an Orderless Regularization (OLR) term that encourages the hidden state of the recurrent model to be invariant to different valid orderings present under the training distribution. We demonstrate that sequential graph generation models benefit from our proposed regularization scheme, especially when data is scarce. Our findings contribute to the growing body of research on graph generation and provide a valuable tool for various applications requiring the synthesis of realistic and diverse graph structures.  ( 2 min )

Aim: To study the existence of subgroups by exploring the similarities between the attributes of the nodes of the groups, in relation to diet and gender and, to analyse the connectivity between groups based on aspects of similarities between them through SNA and artificial intelligence techniques. Methods: 235 students from 5 different educational centres participate in this study between March and December 2015. Data analysis carried out is divided into two blocks: social network analysis and unsupervised machine learning techniques. As for the social network analysis, the Girvan-Newman technique was applied to find the best number of cohesive groups within each of the friendship networks of the different classes analysed. Results: After applying Girvan-Newman in the three classes, the best division into clusters was respectively 2 for classroom A, 7 for classroom B and 6 for classroom C. There are significant differences between the groups and the gender and diet variables. After applying K-means using population diet as an input variable, a K-means clustering of 2 clusters for class A, 3 clusters for class B and 3 clusters for class C is obtained. Conclusion: Adolescents form subgroups within their classrooms. Subgroup cohesion is defined by the fact that nodes share similarities in aspects that influence obesity, they share attributes related to food quality and gender. The concept of homophily, related to SNA, justifies our results. Artificial intelligence techniques together with the application of the Girvan-Newman provide robustness to the structural analysis of similarities and cohesion between subgroups.  ( 3 min )

Glioblastoma is a highly malignant brain tumor with a life expectancy of only 3 to 6 months without treatment. Detecting and predicting its survival and grade accurately are crucial. This study introduces a novel approach using transfer learning techniques. Various pre-trained networks, including EfficientNet, ResNet, VGG16, and Inception, were tested through exhaustive optimization to identify the most suitable architecture. Transfer learning was applied to fine-tune these models on a glioblastoma image dataset, aiming to achieve two objectives: survival and tumor grade prediction.The experimental results show 65% accuracy in survival prediction, classifying patients into short, medium, or long survival categories. Additionally, the prediction of tumor grade achieved an accuracy of 97%, accurately differentiating low-grade gliomas (LGG) and high-grade gliomas (HGG). The success of the approach is attributed to the effectiveness of transfer learning, surpassing the current state-of-the-art methods. In conclusion, this study presents a promising method for predicting the survival and grade of glioblastoma. Transfer learning demonstrates its potential in enhancing prediction models, particularly in scenarios with limited large datasets. These findings hold promise for improving diagnostic and treatment approaches for glioblastoma patients.  ( 2 min )

Uplift modeling, vital in online marketing, seeks to accurately measure the impact of various strategies, such as coupons or discounts, on different users by predicting the Individual Treatment Effect (ITE). In an e-commerce setting, user behavior follows a defined sequential chain, including impression, click, and conversion. Marketing strategies exert varied uplift effects at each stage within this chain, impacting metrics like click-through and conversion rate. Despite its utility, existing research has neglected to consider the inter-task across all stages impacts within a specific treatment and has insufficiently utilized the treatment information, potentially introducing substantial bias into subsequent marketing decisions. We identify these two issues as the chain-bias problem and the treatment-unadaptive problem. This paper introduces the Entire Chain UPlift method with context-enhanced learning (ECUP), devised to tackle these issues. ECUP consists of two primary components: 1) the Entire Chain-Enhanced Network, which utilizes user behavior patterns to estimate ITE throughout the entire chain space, models the various impacts of treatments on each task, and integrates task prior information to enhance context awareness across all stages, capturing the impact of treatment on different tasks, and 2) the Treatment-Enhanced Network, which facilitates fine-grained treatment modeling through bit-level feature interactions, thereby enabling adaptive feature adjustment. Extensive experiments on public and industrial datasets validate ECUPs effectiveness. Moreover, ECUP has been deployed on the Meituan food delivery platform, serving millions of daily active users, with the related dataset released for future research.  ( 3 min )

Infineon has identified a need for engineers, account managers, and customers to rapidly obtain product information. This problem is traditionally addressed with retrieval-augmented generation (RAG) chatbots, but in this study, I evaluated the use of the newly popularized RAG-Fusion method. RAG-Fusion combines RAG and reciprocal rank fusion (RRF) by generating multiple queries, reranking them with reciprocal scores and fusing the documents and scores. Through manually evaluating answers on accuracy, relevance, and comprehensiveness, I found that RAG-Fusion was able to provide accurate and comprehensive answers due to the generated queries contextualizing the original query from various perspectives. However, some answers strayed off topic when the generated queries' relevance to the original query is insufficient. This research marks significant progress in artificial intelligence (AI) and natural language processing (NLP) applications and demonstrates transformations in a global and multi-industry context.  ( 2 min )

This study examined the use of voice recognition technology in perioperative services (Periop) to enable Periop staff to record workflow milestones using mobile technology. The use of mobile technology to improve patient flow and quality of care could be facilitated if such voice recognition technology could be made robust. The goal of this experiment was to allow the Periop staff to provide care without being interrupted with data entry and querying tasks. However, the results are generalizable to other situations where an engineering manager attempts to improve communication performance using mobile technology. This study enhanced Google's voice recognition capability by using post-processing classifiers (i.e., bag-of-sentences, support vector machine, and maximum entropy). The experiments investigated three factors (original phrasing, reduced phrasing, and personalized phrasing) at three levels (zero training repetition, 5 training repetitions, and 10 training repetitions). Results indicated that personal phrasing yielded the highest correctness and that training the device to recognize an individual's voice improved correctness as well. Although simplistic, the bag-of-sentences classifier significantly improved voice recognition correctness. The classification efficiency of the maximum entropy and support vector machine algorithms was found to be nearly identical. These results suggest that engineering managers could significantly enhance Google's voice recognition technology by using post-processing techniques, which would facilitate its use in health care and other applications.  ( 3 min )

Providing explanations within the recommendation system would boost user satisfaction and foster trust, especially by elaborating on the reasons for selecting recommended items tailored to the user. The predominant approach in this domain revolves around generating text-based explanations, with a notable emphasis on applying large language models (LLMs). However, refining LLMs for explainable recommendations proves impractical due to time constraints and computing resource limitations. As an alternative, the current approach involves training the prompt rather than the LLM. In this study, we developed a model that utilizes the ID vectors of user and item inputs as prompts for GPT-2. We employed a joint training mechanism within a multi-task learning framework to optimize both the recommendation task and explanation task. This strategy enables a more effective exploration of users' interests, improving recommendation effectiveness and user satisfaction. Through the experiments, our method achieving 1.59 DIV, 0.57 USR and 0.41 FCR on the Yelp, TripAdvisor and Amazon dataset respectively, demonstrates superior performance over four SOTA methods in terms of explainability evaluation metric. In addition, we identified that the proposed model is able to ensure stable textual quality on the three public datasets.  ( 2 min )

In recent years, graph neural networks (GNNs) have become a popular tool to improve the accuracy and performance of recommender systems. Modern recommender systems are not only designed to serve the end users, but also to benefit other participants, such as items and items providers. These participants may have different or conflicting goals and interests, which raise the need for fairness and popularity bias considerations. GNN-based recommendation methods also face the challenges of unfairness and popularity bias and their normalization and aggregation processes suffer from these challenges. In this paper, we propose a fair GNN-based recommender system, called HetroFair, to improve items' side fairness. HetroFair uses two separate components to generate fairness-aware embeddings: i) fairness-aware attention which incorporates dot product in the normalization process of GNNs, to decrease the effect of nodes' degrees, and ii) heterophily feature weighting to assign distinct weights to different features during the aggregation process. In order to evaluate the effectiveness of HetroFair, we conduct extensive experiments over six real-world datasets. Our experimental results reveal that HetroFair not only alleviates the unfairness and popularity bias on the items' side, but also achieves superior accuracy on the users' side. Our implementation is publicly available at https://github.com/NematGH/HetroFair  ( 2 min )

This paper presents a novel approach at the intersection of machine learning and number theory, focusing on the classification of prime and non-prime numbers. At the core of our research is the development of a highly sparse encoding method, integrated with conventional neural network architectures. This combination has shown promising results, achieving a recall of over 99\% in identifying prime numbers and 79\% for non-prime numbers from an inherently imbalanced sequential series of integers, while exhibiting rapid model convergence before the completion of a single training epoch. We performed training using $10^6$ integers starting from a specified integer and tested on a different range of $2 \times 10^6$ integers extending from $10^6$ to $3 \times 10^6$, offset by the same starting integer. While constrained by the memory capacity of our resources, which limited our analysis to a span of $3\times10^6$, we believe that our study contribute to the application of machine learning in prime number analysis. This work aims to demonstrate the potential of such applications and hopes to inspire further exploration and possibilities in diverse fields.  ( 2 min )

Many real-world datasets can be naturally represented as graphs, spanning a wide range of domains. However, the increasing complexity and size of graph datasets present significant challenges for analysis and computation. In response, graph reduction techniques have gained prominence for simplifying large graphs while preserving essential properties. In this survey, we aim to provide a comprehensive understanding of graph reduction methods, including graph sparsification, graph coarsening, and graph condensation. Specifically, we establish a unified definition for these methods and introduce a hierarchical taxonomy to categorize the challenges they address. Our survey then systematically reviews the technical details of these methods and emphasizes their practical applications across diverse scenarios. Furthermore, we outline critical research directions to ensure the continued effectiveness of graph reduction techniques, as well as provide a comprehensive paper list at https://github.com/ChandlerBang/awesome-graph-reduction. We hope this survey will bridge literature gaps and propel the advancement of this promising field.  ( 2 min )

This study investigates the relationship between tweet sentiment across diverse categories: news, company opinions, CEO opinions, competitor opinions, and stock market behavior in the biotechnology sector, with a focus on understanding the impact of social media discourse on investor sentiment and decision-making processes. We analyzed historical stock market data for ten of the largest and most influential pharmaceutical companies alongside Twitter data related to COVID-19, vaccines, the companies, and their respective CEOs. Using VADER sentiment analysis, we examined the sentiment scores of tweets and assessed their relationships with stock market performance. We employed ARIMA (AutoRegressive Integrated Moving Average) and VAR (Vector AutoRegression) models to forecast stock market performance, incorporating sentiment covariates to improve predictions. Our findings revealed a complex interplay between tweet sentiment, news, biotech companies, their CEOs, and stock market performance, emphasizing the importance of considering diverse factors when modeling and predicting stock prices. This study provides valuable insights into the influence of social media on the financial sector and lays a foundation for future research aimed at refining stock price prediction models.  ( 3 min )

This study aims to minimize the influence of fake news on social networks by deploying debunkers to propagate true news. This is framed as a reinforcement learning problem, where, at each stage, one user is selected to propagate true news. A challenging issue is episodic reward where the "net" effect of selecting individual debunkers cannot be discerned from the interleaving information propagation on social networks, and only the collective effect from mitigation efforts can be observed. Existing Self-Imitation Learning (SIL) methods have shown promise in learning from episodic rewards, but are ill-suited to the real-world application of fake news mitigation because of their poor sample efficiency. To learn a more effective debunker selection policy for fake news mitigation, this study proposes NAGASIL - Negative sampling and state Augmented Generative Adversarial Self-Imitation Learning, which consists of two improvements geared towards fake news mitigation: learning from negative samples, and an augmented state representation to capture the "real" environment state by integrating the current observed state with the previous state-action pairs from the same campaign. Experiments on two social networks show that NAGASIL yields superior performance to standard GASIL and state-of-the-art fake news mitigation models.  ( 2 min )

In this paper, we study zeroth-order algorithms for nonconvex minimax problems with coupled linear constraints under the deterministic and stochastic settings, which have attracted wide attention in machine learning, signal processing and many other fields in recent years, e.g., adversarial attacks in resource allocation problems and network flow problems etc. We propose two single-loop algorithms, namely the zero-order primal-dual alternating projected gradient (ZO-PDAPG) algorithm and the zero-order regularized momentum primal-dual projected gradient algorithm (ZO-RMPDPG), for solving deterministic and stochastic nonconvex-(strongly) concave minimax problems with coupled linear constraints. The iteration complexity of the two proposed algorithms to obtain an $\varepsilon$-stationary point are proved to be $\mathcal{O}(\varepsilon ^{-2})$ (resp. $\mathcal{O}(\varepsilon ^{-4})$) for solving nonconvex-strongly concave (resp. nonconvex-concave) minimax problems with coupled linear constraints under deterministic settings and $\tilde{\mathcal{O}}(\varepsilon ^{-3})$ (resp. $\tilde{\mathcal{O}}(\varepsilon ^{-6.5})$) under stochastic settings respectively. To the best of our knowledge, they are the first two zeroth-order algorithms with iterative complexity guarantees for solving nonconvex-(strongly) concave minimax problems with coupled linear constraints under the deterministic and stochastic settings.  ( 2 min )

Generative Artificial Intelligence (GAI) represents an emerging field that promises the creation of synthetic data and outputs in different modalities. GAI has recently shown impressive results across a large spectrum of applications ranging from biology, medicine, education, legislation, computer science, and finance. As one strives for enhanced safety, efficiency, and sustainability, generative AI indeed emerges as a key differentiator and promises a paradigm shift in the field. This paper explores the potential applications of generative AI and large language models in geoscience. The recent developments in the field of machine learning and deep learning have enabled the generative model's utility for tackling diverse prediction problems, simulation, and multi-criteria decision-making challenges related to geoscience and Earth system dynamics. This survey discusses several GAI models that have been used in geoscience comprising generative adversarial networks (GANs), physics-informed neural networks (PINNs), and generative pre-trained transformer (GPT)-based structures. These tools have helped the geoscience community in several applications, including (but not limited to) data generation/augmentation, super-resolution, panchromatic sharpening, haze removal, restoration, and land surface changing. Some challenges still remain such as ensuring physical interpretation, nefarious use cases, and trustworthiness. Beyond that, GAI models show promises to the geoscience community, especially with the support to climate change, urban science, atmospheric science, marine science, and planetary science through their extraordinary ability to data-driven modeling and uncertainty quantification.  ( 3 min )

In upcoming 6G networks, unmanned aerial vehicles (UAVs) are expected to play a fundamental role by acting as mobile base stations, particularly for demanding vehicle-to-everything (V2X) applications. In this scenario, one of the most challenging problems is the design of trajectories for multiple UAVs, cooperatively serving the same area. Such joint trajectory design can be performed using multi-agent deep reinforcement learning (MADRL) algorithms, but ensuring collision-free paths among UAVs becomes a critical challenge. Traditional methods involve imposing high penalties during training to discourage unsafe conditions, but these can be proven to be ineffective, whereas binary masks can be used to restrict unsafe actions, but naively applying them to all agents can lead to suboptimal solutions and inefficiencies. To address these issues, we propose a rank-based binary masking approach. Higher-ranked UAVs move optimally, while lower-ranked UAVs use this information to define improved binary masks, reducing the number of unsafe actions. This approach allows to obtain a good trade-off between exploration and exploitation, resulting in enhanced training performance, while maintaining safety constraints.  ( 2 min )

This paper introduces a novel domain adaptation technique for time series data, called Mixing model Stiefel Adaptation (MSA), specifically addressing the challenge of limited labeled signals in the target dataset. Leveraging a domain-dependent mixing model and the optimal transport domain adaptation assumption, we exploit abundant unlabeled data in the target domain to ensure effective prediction by establishing pairwise correspondence with equivalent signal variances between domains. Theoretical foundations are laid for identifying crucial Stiefel matrices, essential for recovering underlying signal variances from a Riemannian representation of observed signal covariances. We propose an integrated cost function that simultaneously learns these matrices, pairwise domain relationships, and a predictor, classifier, or regressor, depending on the task. Applied to neuroscience problems, MSA outperforms recent methods in brain-age regression with task variations using magnetoencephalography (MEG) signals from the Cam-CAN dataset.  ( 2 min )

In prior methods, it was observed that the application of Convolutional Neural Networks agent in Deep Reinforcement Learning to financial data resulted in an enhanced reward. In this study, a specific permutation was applied to the feature vector, thereby generating a CNN matrix that strategically positions more pertinent features in close proximity. Our comprehensive experimental evaluations unequivocally demonstrate a substantial enhancement in reward attainment.  ( 2 min )

This work focuses on the main challenges and problems in developing a virtual oceanic environment reproducing real experiments using Unmanned Surface Vehicles (USV) digital twins. We introduce the key features for building virtual worlds, considering using Reinforcement Learning (RL) agents for autonomous navigation and control. With this in mind, the main problems concern the definition of the simulation equations (physics and mathematics), their effective implementation, and how to include strategies for simulated control and perception (sensors) to be used with RL. We present the modeling, implementation steps, and challenges required to create a functional digital twin based on a real robotic sailing vessel. The application is immediate for developing navigation algorithms based on RL to be applied on real boats.  ( 2 min )

The ability to perceive and reason about individual objects and their interactions is a goal to be achieved for building intelligent artificial systems. State-of-the-art approaches use a feedforward encoder to extract object embeddings and a latent graph neural network to model the interaction between these object embeddings. However, the feedforward encoder can not extract {\it object-centric} representations, nor can it disentangle multiple objects with similar appearance. To solve these issues, we introduce {\it Slot Structured World Models} (SSWM), a class of world models that combines an {\it object-centric} encoder (based on Slot Attention) with a latent graph-based dynamics model. We evaluate our method in the Spriteworld benchmark with simple rules of physical interaction, where Slot Structured World Models consistently outperform baselines on a range of (multi-step) prediction tasks with action-conditional object interactions. All code to reproduce paper experiments is available from \url{https://github.com/JonathanCollu/Slot-Structured-World-Models}.  ( 2 min )

This paper answers a fundamental question in artificial neural network (ANN) design: We do not need to build ANNs layer-by-layer sequentially to guarantee the Directed Acyclic Graph (DAG) property. Drawing inspiration from biological intelligence (BI), where neurons form a complex, graph-structured network, we introduce the groundbreaking Cyclic Neural Networks (Cyclic NNs). It emulates the flexible and dynamic graph nature of biological neural systems, allowing neuron connections in any graph-like structure, including cycles. This offers greater adaptability compared to the DAG structure of current ANNs. We further develop the Graph Over Multi-layer Perceptron, which is the first detailed model based on this new design paradigm. Experimental validation of the Cyclic NN's advantages on widely tested datasets in most generalized cases, demonstrating its superiority over current BP training methods through the use of a forward-forward (FF) training algorithm. This research illustrates a totally new ANN design paradigm, which is a significant departure from current ANN designs, potentially leading to more biologically plausible AI systems.  ( 2 min )

Models trained on a labeled source domain (e.g., labeled images from wildlife camera traps) often generalize poorly when deployed on an out-of-distribution (OOD) target domain (e.g., images from new camera trap locations). In the domain adaptation setting where unlabeled target data is available, self-supervised pretraining (e.g., masked autoencoding or contrastive learning) is a promising method to mitigate this performance drop. Pretraining improves OOD error when the generic data augmentations used (e.g., masking or cropping) connect the source and target domains, which may be far apart in the input space. In this paper, we show on real-world tasks that standard fine-tuning after pretraining does not consistently improve OOD error over simply training from scratch on labeled source data. To better leverage pretraining for distribution shifts, we propose Connect Later: after pretraining with generic augmentations, fine-tune with targeted augmentations designed with knowledge of the distribution shift. Pretraining learns good representations within the source and target domains, while targeted augmentations connect the domains better during fine-tuning. Connect Later improves average OOD error over standard fine-tuning and supervised learning with targeted augmentations on 4 real-world datasets: Connect Later achieves the state-of-the-art on astronomical time-series classification (AstroClassification) by 2.5%, wildlife species identification (iWildCam-WILDS) with ResNet-50 by 0.9%, and tumor identification (Camelyon17-WILDS) with DenseNet121 by 1.1%; as well as best performance on a new dataset for astronomical time-series redshift prediction (Redshifts) by 0.03 RMSE (11% relative). Code and datasets are available at https://github.com/helenqu/connect-later.  ( 2 min )

Vision Transformers (ViTs) have gained prominence as a preferred choice for a wide range of computer vision tasks due to their exceptional performance. However, their widespread adoption has raised concerns about security in the face of malicious attacks. Most existing methods rely on empirical adjustments during the training process, lacking a clear theoretical foundation. In this study, we address this gap by introducing SpecFormer, specifically designed to enhance ViTs' resilience against adversarial attacks, with support from carefully derived theoretical guarantees. We establish local Lipschitz bounds for the self-attention layer and introduce a novel approach, Maximum Singular Value Penalization (MSVP), to attain precise control over these bounds. We seamlessly integrate MSVP into ViTs' attention layers, using the power iteration method for enhanced computational efficiency. The modified model, SpecFormer, effectively reduces the spectral norms of attention weight matrices, thereby enhancing network local Lipschitzness. This, in turn, leads to improved training efficiency and robustness. Extensive experiments on CIFAR and ImageNet datasets confirm SpecFormer's superior performance in defending against adversarial attacks.  ( 2 min )

State-space models (SSMs), such as Mamba Gu & Dao (2034), have been proposed as alternatives to Transformer networks in language modeling, by incorporating gating, convolutions, and input-dependent token selection to mitigate the quadratic cost of multi-head attention. Although SSMs exhibit competitive performance, their in-context learning (ICL) capabilities, a remarkable emergent property of modern language models that enables task execution without parameter optimization, remain underexplored compared to Transformers. In this study, we evaluate the ICL performance of SSMs, focusing on Mamba, against Transformer models across various tasks. Our results show that SSMs perform comparably to Transformers in standard regression ICL tasks, while outperforming them in tasks like sparse parity learning. However, SSMs fall short in tasks involving non-standard retrieval functionality. To address these limitations, we introduce a hybrid model, \variant, that combines Mamba with attention blocks, surpassing individual models in tasks where they struggle independently. Our findings suggest that hybrid architectures offer promising avenues for enhancing ICL in language models.  ( 2 min )

Automated red teaming holds substantial promise for uncovering and mitigating the risks associated with the malicious use of large language models (LLMs), yet the field lacks a standardized evaluation framework to rigorously assess new methods. To address this issue, we introduce HarmBench, a standardized evaluation framework for automated red teaming. We identify several desirable properties previously unaccounted for in red teaming evaluations and systematically design HarmBench to meet these criteria. Using HarmBench, we conduct a large-scale comparison of 18 red teaming methods and 33 target LLMs and defenses, yielding novel insights. We also introduce a highly efficient adversarial training method that greatly enhances LLM robustness across a wide range of attacks, demonstrating how HarmBench enables codevelopment of attacks and defenses. We open source HarmBench at https://github.com/centerforaisafety/HarmBench.  ( 2 min )

The Transformer architecture has shown to be a powerful tool for a wide range of tasks. It is based on the self-attention mechanism, which is an inherently computationally expensive operation with quadratic computational complexity: memory usage and compute time increase quadratically with the length of the input sequences, thus limiting the application of Transformers. In this work, we propose a novel Clustering self-Attention mechanism using Surrogate Tokens (CAST), to optimize the attention computation and achieve efficient transformers. CAST utilizes learnable surrogate tokens to construct a cluster affinity matrix, used to cluster the input sequence and generate novel cluster summaries. The self-attention from within each cluster is then combined with the cluster summaries of other clusters, enabling information flow across the entire input sequence. CAST improves efficiency by reducing the complexity from $O(N^2)$ to $O(\alpha N)$ where N is the sequence length, and {\alpha} is constant according to the number of clusters and samples per cluster. We show that CAST performs better than or comparable to the baseline Transformers on long-range sequence modeling tasks, while also achieving higher results on time and memory efficiency than other efficient transformers.  ( 2 min )

We propose MusicRL, the first music generation system finetuned from human feedback. Appreciation of text-to-music models is particularly subjective since the concept of musicality as well as the specific intention behind a caption are user-dependent (e.g. a caption such as "upbeat work-out music" can map to a retro guitar solo or a techno pop beat). Not only this makes supervised training of such models challenging, but it also calls for integrating continuous human feedback in their post-deployment finetuning. MusicRL is a pretrained autoregressive MusicLM (Agostinelli et al., 2023) model of discrete audio tokens finetuned with reinforcement learning to maximise sequence-level rewards. We design reward functions related specifically to text-adherence and audio quality with the help from selected raters, and use those to finetune MusicLM into MusicRL-R. We deploy MusicLM to users and collect a substantial dataset comprising 300,000 pairwise preferences. Using Reinforcement Learning from Human Feedback (RLHF), we train MusicRL-U, the first text-to-music model that incorporates human feedback at scale. Human evaluations show that both MusicRL-R and MusicRL-U are preferred to the baseline. Ultimately, MusicRL-RU combines the two approaches and results in the best model according to human raters. Ablation studies shed light on the musical attributes influencing human preferences, indicating that text adherence and quality only account for a part of it. This underscores the prevalence of subjectivity in musical appreciation and calls for further involvement of human listeners in the finetuning of music generation models.  ( 3 min )

Background: Acute kidney injury (AKI), the decline of kidney excretory function, occurs in up to 18% of hospitalized admissions. Progression of AKI may lead to irreversible kidney damage. Methods: This retrospective cohort study includes adult patients admitted to a non-intensive care unit at the University of Pittsburgh Medical Center (UPMC) (n = 46,815) and University of Florida Health (UFH) (n = 127,202). We developed and compared deep learning and conventional machine learning models to predict progression to Stage 2 or higher AKI within the next 48 hours. We trained local models for each site (UFH Model trained on UFH, UPMC Model trained on UPMC) and a separate model with a development cohort of patients from both sites (UFH-UPMC Model). We internally and externally validated the models on each site and performed subgroup analyses across sex and race. Results: Stage 2 or higher AKI occurred in 3% (n=3,257) and 8% (n=2,296) of UFH and UPMC patients, respectively. Area under the receiver operating curve values (AUROC) for the UFH test cohort ranged between 0.77 (UPMC Model) and 0.81 (UFH Model), while AUROC values ranged between 0.79 (UFH Model) and 0.83 (UPMC Model) for the UPMC test cohort. UFH-UPMC Model achieved an AUROC of 0.81 (95% confidence interval [CI] [0.80, 0.83]) for UFH and 0.82 (95% CI [0.81,0.84]) for UPMC test cohorts; an area under the precision recall curve values (AUPRC) of 0.6 (95% CI, [0.05, 0.06]) for UFH and 0.13 (95% CI, [0.11,0.15]) for UPMC test cohorts. Kinetic estimated glomerular filtration rate, nephrotoxic drug burden and blood urea nitrogen remained the top three features with the highest influence across the models and health centers. Conclusion: Locally developed models displayed marginally reduced discrimination when tested on another institution, while the top set of influencing features remained the same across the models and sites.  ( 3 min )

Shapley values have emerged as a foundational tool in machine learning (ML) for elucidating model decision-making processes. Despite their widespread adoption and unique ability to satisfy essential explainability axioms, computational challenges persist in their estimation when ($i$) evaluating a model over all possible subset of input feature combinations, ($ii$) estimating model marginals, and ($iii$) addressing variability in explanations. We introduce a novel, self-explaining method that simplifies the computation of Shapley values significantly, requiring only a single forward pass. Recognizing the deterministic treatment of Shapley values as a limitation, we explore incorporating a probabilistic framework to capture the inherent uncertainty in explanations. Unlike alternatives, our technique does not rely directly on the observed data space to estimate marginals; instead, it uses adaptable baseline values derived from a latent, feature-specific embedding space, generated by a novel masked neural network architecture. Evaluations on simulated and real datasets underscore our technique's robust predictive and explanatory performance.  ( 2 min )

In this paper, we consider a decentralized learning problem in the presence of stragglers. Although gradient coding techniques have been developed for distributed learning to evade stragglers, where the devices send encoded gradients with redundant training data, it is difficult to apply those techniques directly to decentralized learning scenarios. To deal with this problem, we propose a new gossip-based decentralized learning method with gradient coding (GOCO). In the proposed method, to avoid the negative impact of stragglers, the parameter vectors are updated locally using encoded gradients based on the framework of stochastic gradient coding and then averaged in a gossip-based manner. We analyze the convergence performance of GOCO for strongly convex loss functions. And we also provide simulation results to demonstrate the superiority of the proposed method in terms of learning performance compared with the baseline methods.  ( 2 min )

Reinforcement learning algorithms need exploration to learn. However, unsupervised exploration prevents the deployment of such algorithms on safety-critical tasks and limits real-world deployment. In this paper, we propose a new algorithm called Ensemble Model Predictive Safety Certification that combines model-based deep reinforcement learning with tube-based model predictive control to correct the actions taken by a learning agent, keeping safety constraint violations at a minimum through planning. Our approach aims to reduce the amount of prior knowledge about the actual system by requiring only offline data generated by a safe controller. Our results show that we can achieve significantly fewer constraint violations than comparable reinforcement learning methods.  ( 2 min )

Most mathematical distortions used in ML are fundamentally integral in nature: $f$-divergences, Bregman divergences, (regularized) optimal transport distances, integral probability metrics, geodesic distances, etc. In this paper, we unveil a grounded theory and tools which can help improve these distortions to better cope with ML requirements. We start with a generalization of Riemann integration that also encapsulates functions that are not strictly additive but are, more generally, $t$-additive, as in nonextensive statistical mechanics. Notably, this recovers Volterra's product integral as a special case. We then generalize the Fundamental Theorem of calculus using an extension of the (Euclidean) derivative. This, along with a series of more specific Theorems, serves as a basis for results showing how one can specifically design, alter, or change fundamental properties of distortion measures in a simple way, with a special emphasis on geometric- and ML-related properties that are the metricity, hyperbolicity, and encoding. We show how to apply it to a problem that has recently gained traction in ML: hyperbolic embeddings with a "cheap" and accurate encoding along the hyperbolic vs Euclidean scale. We unveil a new application for which the Poincar\'e disk model has very appealing features, and our theory comes in handy: \textit{model} embeddings for boosted combinations of decision trees, trained using the log-loss (trees) and logistic loss (combinations).  ( 3 min )

Reinforcement Learning is a highly active research field with promising advancements. In the field of autonomous driving, however, often very simple scenarios are being examined. Common approaches use non-interpretable control commands as the action space and unstructured reward designs which lack structure. In this work, we introduce Informed Reinforcement Learning, where a structured rulebook is integrated as a knowledge source. We learn trajectories and asses them with a situation-aware reward design, leading to a dynamic reward which allows the agent to learn situations which require controlled traffic rule exceptions. Our method is applicable to arbitrary RL models. We successfully demonstrate high completion rates of complex scenarios with recent model-based agents.  ( 2 min )

In recent years, attention-based transformers have achieved tremendous success across a variety of disciplines including natural languages. A key ingredient behind their success is the generative pretraining procedure, during which these models are trained on a large text corpus in an auto-regressive manner. To shed light on this phenomenon, we propose a new framework that allows both theory and systematic experiments to study the sequential modeling capabilities of transformers through the lens of Markov chains. Inspired by the Markovianity of natural languages, we model the data as a Markovian source and utilize this framework to systematically study the interplay between the data-distributional properties, the transformer architecture, the learnt distribution, and the final model performance. In particular, we theoretically characterize the loss landscape of single-layer transformers and show the existence of global minima and bad local minima contingent upon the specific data characteristics and the transformer architecture. Backed by experiments, we demonstrate that our theoretical findings are in congruence with the empirical results. We further investigate these findings in the broader context of higher order Markov chains and deeper architectures, and outline open problems in this arena. Code is available at \url{https://github.com/Bond1995/Markov}.  ( 2 min )

Recent works have shown that by using large pre-trained models along with learnable prompts, rehearsal-free methods for class-incremental learning (CIL) settings can achieve superior performance to prominent rehearsal-based ones. Rehearsal-free CIL methods struggle with distinguishing classes from different tasks, as those are not trained together. In this work we propose a regularization method based on virtual outliers to tighten decision boundaries of the classifier, such that confusion of classes among different tasks is mitigated. Recent prompt-based methods often require a pool of task-specific prompts, in order to prevent overwriting knowledge of previous tasks with that of the new task, leading to extra computation in querying and composing an appropriate prompt from the pool. This additional cost can be eliminated, without sacrificing accuracy, as we reveal in the paper. We illustrate that a simplified prompt-based method can achieve results comparable to previous state-of-the-art (SOTA) methods equipped with a prompt pool, using much less learnable parameters and lower inference cost. Our regularization method has demonstrated its compatibility with different prompt-based methods, boosting those previous SOTA rehearsal-free CIL methods' accuracy on the ImageNet-R and CIFAR-100 benchmarks. Our source code is available at https://github.com/jpmorganchase/ovor.  ( 2 min )

EU directives stipulate a systematic follow-up of train delays. In Sweden, the Swedish Transport Administration registers and assigns an appropriate delay attribution code. However, this delay attribution code is assigned manually, which is a complex task. In this paper, a machine learning-based decision support for assigning delay attribution codes based on event descriptions is investigated. The text is transformed using TF-IDF, and two models, Random Forest and Support Vector Machine, are evaluated against a random uniform classifier and the classification performance of the Swedish Transport Administration. Further, the problem is modeled as both a hierarchical and flat approach. The results indicate that a hierarchical approach performs better than a flat approach. Both approaches perform better than the random uniform classifier but perform worse than the manual classification.  ( 2 min )

Efficient molecular modeling and design are crucial for the discovery and exploration of novel molecules, and the incorporation of deep learning methods has revolutionized this field. In particular, large language models (LLMs) offer a fresh approach to tackle scientific problems from a natural language processing (NLP) perspective, introducing a research paradigm called scientific language modeling (SLM). However, two key issues remain: how to quantify the match between model and data modalities and how to identify the knowledge-learning preferences of models. To address these challenges, we propose a multi-modal benchmark, named ChEBI-20-MM, and perform 1263 experiments to assess the model's compatibility with data modalities and knowledge acquisition. Through the modal transition probability matrix, we provide insights into the most suitable modalities for tasks. Furthermore, we introduce a statistically interpretable approach to discover context-specific knowledge mapping by localized feature filtering. Our pioneering analysis offers an exploration of the learning mechanism and paves the way for advancing SLM in molecular science.  ( 2 min )

Recently, peoples awareness of online purchases has significantly risen. This has given rise to online retail platforms and the need for a better understanding of customer purchasing behaviour. Retail companies are pressed with the need to deal with a high volume of customer purchases, which requires sophisticated approaches to perform more accurate and efficient customer segmentation. Customer segmentation is a marketing analytical tool that aids customer-centric service and thus enhances profitability. In this paper, we aim to develop a customer segmentation model to improve decision-making processes in the retail market industry. To achieve this, we employed a UK-based online retail dataset obtained from the UCI machine learning repository. The retail dataset consists of 541,909 customer records and eight features. Our study adopted the RFM (recency, frequency, and monetary) framework to quantify customer values. Thereafter, we compared several state-of-the-art (SOTA) clustering algorithms, namely, K-means clustering, the Gaussian mixture model (GMM), density-based spatial clustering of applications with noise (DBSCAN), agglomerative clustering, and balanced iterative reducing and clustering using hierarchies (BIRCH). The results showed the GMM outperformed other approaches, with a Silhouette Score of 0.80.  ( 2 min )

The multi-head attention layer is one of the key components of the transformer architecture that sets it apart from traditional feed-forward models. Given a sequence length $k$, attention matrices $\mathbf{\Theta}_1,\ldots,\mathbf{\Theta}_m\in\mathbb{R}^{d\times d}$, and projection matrices $\mathbf{W}_1,\ldots,\mathbf{W}_m\in\mathbb{R}^{d\times d}$, the corresponding multi-head attention layer $F: \mathbb{R}^{k\times d}\to \mathbb{R}^{k\times d}$ transforms length-$k$ sequences of $d$-dimensional tokens $\mathbf{X}\in\mathbb{R}^{k\times d}$ via $F(\mathbf{X}) \triangleq \sum^m_{i=1} \mathrm{softmax}(\mathbf{X}\mathbf{\Theta}_i\mathbf{X}^\top)\mathbf{X}\mathbf{W}_i$. In this work, we initiate the study of provably learning a multi-head attention layer from random examples and give the first nontrivial upper and lower bounds for this problem: - Provided $\{\mathbf{W}_i, \mathbf{\Theta}_i\}$ satisfy certain non-degeneracy conditions, we give a $(dk)^{O(m^3)}$-time algorithm that learns $F$ to small error given random labeled examples drawn uniformly from $\{\pm 1\}^{k\times d}$. - We prove computational lower bounds showing that in the worst case, exponential dependence on $m$ is unavoidable. We focus on Boolean $\mathbf{X}$ to mimic the discrete nature of tokens in large language models, though our techniques naturally extend to standard continuous settings, e.g. Gaussian. Our algorithm, which is centered around using examples to sculpt a convex body containing the unknown parameters, is a significant departure from existing provable algorithms for learning feedforward networks, which predominantly exploit algebraic and rotation invariance properties of the Gaussian distribution. In contrast, our analysis is more flexible as it primarily relies on various upper and lower tail bounds for the input distribution and "slices" thereof.  ( 2 min )

Learning in deep weight spaces (DWS), where neural networks process the weights of other neural networks, is an emerging research direction, with applications to 2D and 3D neural fields (INRs, NeRFs), as well as making inferences about other types of neural networks. Unfortunately, weight space models tend to suffer from substantial overfitting. We empirically analyze the reasons for this overfitting and find that a key reason is the lack of diversity in DWS datasets. While a given object can be represented by many different weight configurations, typical INR training sets fail to capture variability across INRs that represent the same object. To address this, we explore strategies for data augmentation in weight spaces and propose a MixUp method adapted for weight spaces. We demonstrate the effectiveness of these methods in two setups. In classification, they improve performance similarly to having up to 10 times more data. In self-supervised contrastive learning, they yield substantial 5-10% gains in downstream classification.  ( 2 min )